[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

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Names

[ CAS No. ]:
29069-24-7

[ Name ]:
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

[Synonym ]:
precorrin-6y
3,7,12,17-Corrintetrapropanoic acid,2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-,(1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))

Chemical & Physical Properties

[ Density]:
1.3g/cm3

[ Boiling Point ]:
791.5ºC at 760 mmHg

[ Melting Point ]:
163-164ºC

[ Molecular Formula ]:
C35H45Cl2NO6

[ Molecular Weight ]:
646.64100

[ Flash Point ]:
432.5ºC

[ Exact Mass ]:
645.26200

[ PSA ]:
104.14000

[ LogP ]:
5.41540

[ Vapour Pressure ]:
2.08E-26mmHg at 25°C

[ Index of Refraction ]:
1.606

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4153000
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(4-(p-(bis(2-chloroethyl)amino) phenyl)butyrate)
CAS REGISTRY NUMBER :
29069-24-7
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C35-H45-Cl2-N-O6
MOLECULAR WEIGHT :
646.71
WISWESSER LINE NOTATION :
L E5 B666 OV AHTTT&J A1 CQ E1 FV1OV3R DN2G2G& FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
16 mg/kg/4W
TOXIC EFFECTS :
Behavioral - euphoria Blood - leukopenia Blood - thrombocytopenia
REFERENCE :
JNMDBO Journal of Medicine (Westbury, NY). (PJD Pub., Ltd., POB 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 8,115,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 1,137,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990

Related Compounds

  • 3-(4-Amino-3-{[(benzyloxy)carbonyl]amino}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
  • 8-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylic acid
  • ethyl 2-amino-7-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylate
  • tert-butyl (3S)-3-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfamoyl}pyrrolidine-1-carboxylate
  • 2-{4-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)oxy]phenyl}acetic acid
  • Ethyl 5-amino-2,2-difluoro-4-iodopentanoate
  • 3-[(1S)-1-aminopropyl]-1-methyl-1H-1,2,4-triazole-5-carboxylic acid
  • rac-methyl (1R,2S)-2-amino-1,2-dimethylcyclobutane-1-carboxylate
  • tert-butyl N-(3,3-dimethylbutyl)-N-(2-hydroxypropyl)carbamate
  • Tert-butyl 5-(piperidin-2-yl)pent-2-ynoate
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