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Estramustine phosphate

Estramustine phosphate structure

CAS No:
4891-15-0
Formula:
C23H32Cl2NO6P
Chemical Name:
Estramustine phosphate
Synonyms:
Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-[N,N-bis(2-chloroethyl)carbamate],17-(dihydrogen phosphate);Estradiol,3-[bis(2-chloroethyl)carbamate] dihydrogen phosphate;Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate);Estradiol,3-[bis(2-chloroethyl)carbamate],17-(dihydrogen phosphate);Carbamic acid,bis(2-chloroethyl)-,3-ester with estradiol dihydrogen phosphate (ester);Estracyt;Estramustine phosphate;Leo 299;LS 299;Estradiol 3-N-bis(2-chloroethyl)carbamate-17β-phosphate;NSC 89199
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

ChEBI: A steroid phosphate which is the 17-O-phospho derivative of estramustine.

Estramustine phosphate is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a steroid phosphate, a carbamate ester and an organochlorine compound. It derives from an estramustine. It is a conjugate acid of an estramustine phosphate(2-).|A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.

Estramustine phosphate Basic Attributes

Molecular Weight：

520.383041

Exact Mass：

520.38

EC Number：

225-512-3

UNII：

MUZ9585Y7B

NSC Number：

89199

DSSTox ID：

DTXSID7048667

Characteristics

PSA：

106.11000

XLogP3：

5.29900

Density：

1.4g/cm3

Melting Point：

155 °C

Boiling Point：

661.2ºC at 760mmHg

Flash Point：

353.7ºC

Refractive Index：

1.594

Safety Information

Precautionary statement(s)：

P201, P202, P281, P308+P313, P405, P501

Hazard Statements：

H351

GHS Classification：

|Danger|H351 (96.67%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 30 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079) (See all compounds classified as Antineoplastic Agents, Hormonal.)|A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026) (See all compounds classified as Antineoplastic Agents, Alkylating.)

MeSH Entry Terms：

Emcyt

Computed Properties

Molecular Weight:520.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:519.1344301
Monoisotopic Mass:519.1344301
Topological Polar Surface Area:96.3
Heavy Atom Count:33
Complexity:747
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes