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MSDS  : Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl) amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-, (+-)-, trihydrochloride
CAS  : 80902-43-8
SYNONYMS  : * (+-)-1-Amino-19-guanidino-11-hydroxy-4,9,12-triazanonadecane-10,13-dione trihydrochloride * (+-)-Deoxyspergualin trihydrochloride * (+-)-15-Deoxyspergualin trihydrochloride * NKT-01
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : MI7601120
CHEMICAL NAME : Heptanamide,
7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)
amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-, (+-)-,
trihydrochloride
LAST UPDATED : 199612
DATA ITEMS CITED : 16
MOLECULAR FORMULA : C17-H37-N7-O3.3Cl-H
MOLECULAR WEIGHT : 496.99
COMPOUND DESCRIPTOR : Reproductive Effector
Natural Product
SYNONYMS/TRADE NAMES :
* (+-)-1-Amino-19-guanidino-11-hydroxy-4,9,12-triazanonadecane-10,13-dione
trihydrochloride
* (+-)-Deoxyspergualin trihydrochloride
* (+-)-15-Deoxyspergualin trihydrochloride
* NKT-01

*** HEALTH HAZARD DATA ***

** ACUTE TOXICITY DATA **

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 1414 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis
Blood - changes in cell count (unspecified)
Blood - changes in spleen
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 42900 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Lungs, Thorax, or Respiration - cyanosis
Blood - changes in spleen
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 59600 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis
Lungs, Thorax, or Respiration - respiratory depression
Blood - changes in spleen
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 20400 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Lungs, Thorax, or Respiration - cyanosis
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 1078 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Lungs, Thorax, or Respiration - cyanosis
Blood - changes in spleen
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 38400 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
Lungs, Thorax, or Respiration - cyanosis
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 47900 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
Lungs, Thorax, or Respiration - cyanosis
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 11900 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
Lungs, Thorax, or Respiration - cyanosis
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 30 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Cardiac - arrhythmias (including changes in conduction)
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2917,1991

** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 28200 ug/kg/5D-I
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea
Gastrointestinal - nausea or vomiting
Endocrine - other changes
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,3051,1991

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intramuscular
SPECIES OBSERVED : Primate - monkey
DOSE/DURATION : 56 mg/kg/4W-I
TOXIC EFFECTS :
Blood - normocytic anemia
Blood - other changes
Blood - changes in leukocyte (WBC) count
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2471,1991

** REPRODUCTIVE DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE : 44 mg/kg
SEX/DURATION : female 15 day(s) pre-mating
female 1-7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,2993,1991

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE : 44 mg/kg
SEX/DURATION : female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
per # born alive)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,3005,1991

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE : 44 mg/kg
SEX/DURATION : female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
Reproductive - Effects on Newborn - physical
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,3005,1991

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE : 3125 ug/kg
SEX/DURATION : female 17-20 day(s) after conception
lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,3035,1991

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rabbit
DOSE : 11700 ug/kg
SEX/DURATION : female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 25,3025,1991

*** END OF RECORD ***
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ALL Chemical Property And Toxicity Analysis PAGES IN THIS GROUP
NAMECAS
3,5-Heptadienoic acid,7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, methyl ester,(1R-(1-alpha(3Z,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 64775-52-6
3,5-Heptadienoic acid,7-(2-(4-(4-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, methyl ester,(1R-(1-alpha(3,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 64775-52-6
2,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(2E,5E),2-beta(1E,3R*),3-alpha,5-alpha))- 64775-52-6
2,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(2E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 62524-94-1
3,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(3,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 73364-95-1
3,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(3E,5E),2-beta(1E,3R*),3-alpha,5-alpha))- 64812-77-7
3,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(3E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 64812-67-5
3,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(3Z,5E),2-beta(1E,3R*),3-alpha,5-alpha))- 64812-67-5
2,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1- butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(2E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 62559-74-4
3,5-Heptadienoic acid,7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1- butenyl)cyclopentyl)-, methyl ester,(1R-(1-alpha(3,5Z),2-beta(1E,3R*),3-alpha,5-alpha))- 62559-74-4
Guanidine, 1,3-diphenyl- 102-06-7
4,5-Heptadienoic acid,7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, methyl ester,(1-alpha,2-beta(1E,3R*),3-alpha)- 73121-56-9
2,4-Heptadienoic acid,3-methoxy-7-(3,4-(methylenedioxy)phenyl)- 3384-27-8
1,6-Heptadien-4-ol 2883-45-6
1,6-Heptadien-4-ol, 4-ethyl- 52939-62-5
1,6-Heptadien-4-ol, 4-ethyl-, carbamate (ester) 52939-62-5
1,6-Heptadien-4-ol, 4-methyl- 25201-40-5
1,6-Heptadien-4-ol, 4-phenyl- 25201-40-5
1,6-Heptadien-4-ol, 4-phenyl-, carbamate (ester) 25201-40-5
3,5-Heptadien-2-one 3916-64-1
2,5-Heptadien-4-one, 2,6-dimethyl- 504-20-1
Guanidine, (2-(diphenylamino)ethyl)-, sulfate (21) 504-20-1
1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 79-78-7
2,4-Heptadione,7-chloro-6-(chlorodifluoromethyl)-7,7-difluoro-6-hydroxy- 6203-86-7
2,4-Heptadione,7-chloro-7,7-difluoro-6-hydroxy-6-(trifluoromethyl)- 101517-11-7
1,6-Heptadiyne 2396-63-6
2,4-Heptadiyne-1,7-diol, 1,1-diphenyl- 53019-27-5
HeptafunginSUBSTANCE DEFINITION :Isolated from Streptomyces longisporo lavendulae and Streptomyces achromolavendulaeREFERENCE :85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., BocaRaton, FL, CRC Press, 1980- Volume(issue)/page/year: 2,267,1980 53019-27-5
Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-,dihydrochloride 2056-22-6
Heptanal 111-71-7
Heptanal,2-(1,3-bis(trifluoromethyl)-2-hydroxy-2-propyl)-,thiosemicarbazone 111-71-7
Heptanal, 7-fluoro- 693-47-0
Guanidine, 1-(3-diphenylamino-2-hydroxypropyl)-,hemisulfate, dl- 67427-63-8
Heptanal,2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime 101517-12-8
Heptanal,2-(1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)- 34844-09-2
Heptanal, oxime 629-31-2
Heptanal, (5-nitro-2-pyridyl)hydrazone 28050-85-3
Heptanal, compd. with sulfurous acid monosodium salt(1:1) 6033-16-5
Heptanal, 3-thiosemicarbazone 5351-79-1
Heptanamide, 7-(p-(9-acridinylamino)phenyl)-,methanesulfonate 71798-50-0
Heptanamide,7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-,hydrochloride, (+)- 71798-50-0
Heptanamide,7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-3-hydroxy-,(S-(R*,R*))- 80902-43-8
Heptanamide,7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-, (+-)-,trihydrochloride 80902-43-8
Guanidine, 1,2-diphenyl-3-(2-mercaptoethyl)-,monohydrobromide 80902-43-8
Heptanamide,7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)- 1-hydroxy-2-oxoethyl)-,trihydrochloride, dihydrate 85468-01-5
Heptanamide,7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1- hydroxy-2-oxoethyl)-,trihydrochloride, dihydrate, (-)- 84937-45-1
Heptanamide,7-amino-N-(3-methyl-1-phenyl-1H-indol-2-yl)-,monohydrochloride 138349-49-2
Heptanamide,N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)- 65808-71-1
Heptanamide,N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)-, monohydrochloride 71420-34-3
Heptanamide, 2-(diethylamino)-N-tert-pentyl-,hydrochloride 71420-34-3

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