Introduction：Basic information about CAS 96346-61-1|Onapristone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Onapristone |
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| CAS Number | 96346-61-1 | Molecular Weight | 449.62500 |
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| Density | 1.19 g/cm3 | Boiling Point | 654.8ºC at 760 mmHg |
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| Molecular Formula | C29H39NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 349.8ºC |
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Names
| Name | (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.19 g/cm3 |
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| Boiling Point | 654.8ºC at 760 mmHg |
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| Molecular Formula | C29H39NO3 |
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| Molecular Weight | 449.62500 |
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| Flash Point | 349.8ºC |
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| Exact Mass | 449.29300 |
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| PSA | 60.77000 |
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| LogP | 5.15570 |
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| Index of Refraction | 1.615 |
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| InChIKey | IEXUMDBQLIVNHZ-YOUGDJEHSA-N |
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| SMILES | CN(C)c1ccc(C2CC3(C)C(CCC3(O)CCCO)C3CCC4=CC(=O)CCC4=C23)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KG2945000
- CHEMICAL NAME :
- Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy propyl)-, (11-beta,13-alpha,17-alpha)-
- CAS REGISTRY NUMBER :
- 96346-61-1
- LAST UPDATED :
- 199607
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C29-H39-N-O3
- MOLECULAR WEIGHT :
- 449.69
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - abortion
- REFERENCE :
- BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 40,549,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 18 mg/kg
- SEX/DURATION :
- female 3 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - menstrual cycle changes or disorders
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 35,409,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 30-33 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - abortion
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 41,197,1990
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 40 mg/kg
- SEX/DURATION :
- female 8-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 52,187,1995
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Synonyms
| Onapristonum [Latin] |
| ZK 299 |
| Onapristona [Spanish] |
| Onapristone |
| Onapristone (INN) |
