4-Azaandrost-5-en-3-one, 17-[[[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]oxy]-4-methyl-, (17.beta.)-

SpectraBase Compound ID	6WZp1h92LpL
InChI	InChI=1S/C31H42Cl2N2O4/c1-30-15-13-28(36)34(3)26(30)10-8-23-24-9-11-27(31(24,2)14-12-25(23)30)39-29(37)20-38-22-6-4-21(5-7-22)35(18-16-32)19-17-33/h4-7,10,23-25,27H,8-9,11-20H2,1-3H3
InChIKey	KSRAQDQJALESNY-UHFFFAOYSA-N Google Search
Mol Weight	577.6 g/mol
Molecular Formula	C31H42Cl2N2O4
Exact Mass	576.252163 g/mol

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SpectraBase Spectrum ID	EwvYbtmVLEE
Name	1,4a,6a-Trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl (4-[bis(2-chloroethyl)amino]phenoxy)acetate
CAS Registry Number	95270-47-6
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H42Cl2N2O4
InChI	InChI=1S/C31H42Cl2N2O4/c1-30-15-13-28(36)34(3)26(30)10-8-23-24-9-11-27(31(24,2)14-12-25(23)30)39-29(37)20-38-22-6-4-21(5-7-22)35(18-16-32)19-17-33/h4-7,10,23-25,27H,8-9,11-20H2,1-3H3
InChIKey	KSRAQDQJALESNY-UHFFFAOYSA-N
Molecular Weight	577.593 g/mol
SMILES	CN1C=2C(CCC1=O)(C)C1C(CC2)C2C(CC1)(C)C(CC2)OC(=O)COc1ccc(cc1)N(CCCl)CCCl
SPLASH	splash10-004i-4530090000-6346997186459922caa8
Source of Spectrum	HE-1982-0-0
Synonyms	(6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl) 2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoate (6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl) 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid (6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl) ester 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid (7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl) ester 4-Azaandrost-5-en-3-one, 17-[[[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]oxy]-4-methyl-, (17.beta.)-
Wiley ID	1408207