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Substance Name: Estramustine [USAN:INN:BAN]
RN: 2998-57-4
UNII: 35LT29625A
InChIKey: FRPJXPJMRWBBIH-RBRWEJTLSA-N
Note
- A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
Molecular Formula
- C23-H31-Cl2-N-O3
Molecular Weight
- 440.4079
- All
- Classifications
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- Structure Descriptors
- Physical Properties
Classification Codes
- Alkylating Agents
- Antineoplastic
- Antineoplastic Agents
- Antineoplastic Agents, Alkylating
- Antineoplastic Agents, Hormonal
- Mutation Data
- Noxae
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Names and Synonyms
Name of Substance
- Estramustine
- Estramustine [USAN:INN:BAN]
MeSH Heading
- Estramustine
Synonyms
- 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate)
- BMS 247550
- BMS-247550
- EINECS 221-076-3
- Estra-1,3,5(10)-triene-3,17-diol, 3-(bis(2-chloroethyl)carbamate), (17beta)-
- Estracyt
- Estradiol 3-(bis(2-chloroethyl)carbamate)
- Estradiol 3-(N,N-bis(2-chloroethyl)carbamate)
- Estramustina
- Estramustina [INN-Spanish]
- Estramustine
- Estramustinum
- Estramustinum [INN-Latin]
- LEO 275
- NSC 89201
- RO 21-8837
- Ro 22-2296/000
- UNII-35LT29625A
Systematic Names
- Carbamic acid, bis(2-chloroethyl)-, 17beta-hydroxyestra-1,3,5(10)-trien-3-yl ester
- Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate)
- Estra-1,3,5(10)-triene-3,17-diol, 3-(bis(2-chloroethyl)carbamate), (17beta)-
- Estradiol, 3-(bis(2-chloroethyl)carbamate)
- Estramustine
Registry Numbers
CAS Registry Number
- 2998-57-4
FDA UNII
- 35LT29625A
System Generated Number
- 0002998574
Structure Descriptors
InChI
InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1InChIKey
FRPJXPJMRWBBIH-RBRWEJTLSA-NSmiles
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 104.5 | deg C | EXP | |
log P (octanol-water) | 5.500 | (none) | EST | |
Atmospheric OH Rate Constant | 3.49E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.