Home > Name List By other > [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloro...

CAS No 2998-57-4 , [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,
17-decahydrocyclopenta[a]phenanthren-3-yl]
N,N-bis(2-chloroethyl)carbamate

  • Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,
    17-decahydrocyclopenta[a]phenanthren-3-yl]
    N,N-bis(2-chloroethyl)carbamate
  • Synonyms: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,
    17-decahydrocyclopenta[a]phenanthren-3-yl]
    N,N-bis(2-chloroethyl)carbamate; DSSTox_CID_26458; 2998-57-4;Estramustina; Estradiol 3-(N,N-bis(2-chloroethyl)carbamate); NCGC00164581-01; Estramustinum; CHEBI:4868;
  • CAS Registry Number:
  • Melting Point: 104 - 105
  • Flash Point: 296°C
  • Boiling Point: 565.8°C at 760 mmHg
  • Density: 1.253 g/cm3
  • Refractive index: 1.576
  • Safety Statements: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
  • Flash Point: 296°C
  • EINECS: 221-076-3
  • Molecular Weight: 440.40314
  • InchiKey: FRPJXPJMRWBBIH-RBRWEJTLSA-N
  • 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/s1
  • Molecular Formula: C23H31Cl2NO3
  • Molecular Structure:CAS No:2998-57-4 [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,<br />17-decahydrocyclopenta[a]phenanthren-3-yl]<br />N,N-bis(2-chloroethyl)carbamate

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2998-57-4 ESTRAMUSTINE

  • Hong kong Advanced Technology & Industrial Co., Ltd. [Manufacturer]
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2998-57-4 Estra-1,3,5(10)-triene-3,17-diol(17b)-,3-[bis(2-chloroethyl)carbamate]

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2998-57-4 Estra-1,3,5(10)-triene-3,17-diol(17b)-,3-[bis(2-chloroethyl)carbamate]

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2998-57-4 Estra-1,3,5(10)-triene-3,17-diol(17b)-,3-[bis(2-chloroethyl)carbamate]

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2998-57-4 Estra-1,3,5(10)-triene-3,17-diol(17b)-,3-[bis(2-chloroethyl)carbamate]

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2998-57-4 Estra-1,3,5(10)-triene-3,17-diol(17b)-,3-[bis(2-chloroethyl)carbamate]

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References of [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,
17-decahydrocyclopenta[a]phenanthren-3-yl]
N,N-bis(2-chloroethyl)carbamate
Title: Estramustine
CAS Registry Number: 2998-57-4
CAS Name: (17b)-Estra-1,3,5(10)-triene-3,17-diol 3-[bis(2-chloroethyl)carbamate]
Synonyms: estradiol 3-bis(2-chloroethyl)carbamate; estra-1,3,5(10)triene-3,17b-diol 3-[N,N-bis(2-chloroethyl)carbamate]
Manufacturers' Codes: Ro-21-8837
Molecular Formula: C23H31Cl2NO3
Molecular Weight: 440.40
Percent Composition: C 62.73%, H 7.09%, Cl 16.10%, N 3.18%, O 10.90%
Literature References: Carbamate ester linking estradiol to nor-nitrogen mustard; depolymerizes microtubules by binding to microtubule associated proteins (MAPs). Prepn: BE 646319; Fex et al., US 3299104 (1963, 1967 to AB Leo); Niculescu-Duvaz et al., J. Med. Chem. 10, 172 (1967). Clinical results: Anderes, Praxis 60, 1375 (1971); Muntzing, Nilsson, Z. Krebsforsch. Klin. Onkol. 77, 166 (1972). Review of mechanism of action: K. D. Tew, M. E. Stearns, Pharmacol. Ther. 43, 299-319 (1989); of pharmacokinetics and pharmacodynamics: A. T. Bergenheim, R. Henriksson, Clin. Pharmacokinet. 34, 163-172 (1998).
Properties: Crystals from benzene-petr ether, mp 104-105°. [a]D20 +50° (in dioxane). uv max (alcohol): 270.7, 276.5 nm.
Melting point: mp 104-105°
Optical Rotation: [a]D20 +50° (in dioxane)
Absorption maximum: uv max (alcohol): 270.7, 276.5 nm
 
Derivative Type: 17-Phosphate
Trademarks: Estracyt (Pfizer)
Molecular Formula: C23H32Cl2NO6P
Molecular Weight: 520.38
Percent Composition: C 53.09%, H 6.20%, Cl 13.63%, N 2.69%, O 18.45%, P 5.95%
Properties: mp 155° (dec). [a]D20 +30° (dioxane). Sol in aqueous and alkali solns.
Melting point: mp 155° (dec)
Optical Rotation: [a]D20 +30° (dioxane)
 
Derivative Type: 17-(Dihydrogenphosphate) disodium salt monohydrate
CAS Registry Number: 52205-73-9 (anhydrous)
Trademarks: Emcyt (Pfizer)
Molecular Formula: C23H30Cl2NNa2O6P.H2O
Molecular Weight: 582.36
Percent Composition: C 47.44%, H 5.54%, Cl 12.18%, N 2.41%, Na 7.90%, O 19.23%, P 5.32%
Properties: Off-white powder; readily sol in water.
 
Therap-Cat: Antineoplastic.
Keywords: Antineoplastic; Alkylating Agents; Nitrogen Mustards.