4a,6a-Dimethyl-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]phenyl)acetate

SpectraBase Compound ID	KjjowB5nIop
InChI	InChI=1S/C30H40Cl2N2O3/c1-29-14-12-27(35)33-25(29)9-7-22-23-8-10-26(30(23,2)13-11-24(22)29)37-28(36)19-20-3-5-21(6-4-20)34(17-15-31)18-16-32/h3-6,9,22-24,26H,7-8,10-19H2,1-2H3,(H,33,35)/t22-,23-,24-,26-,29+,30-/m0/s1
InChIKey	CTTZEKNSIWKPOQ-QPZGPXIBSA-N Google Search
Mol Weight	547.6 g/mol
Molecular Formula	C30H40Cl2N2O3
Exact Mass	546.241599 g/mol

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SpectraBase Spectrum ID	KMtKO1S8PZJ
Name	4a,6a-Dimethyl-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]phenyl)acetate
CAS Registry Number	95270-46-5
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H40Cl2N2O3
InChI	InChI=1S/C30H40Cl2N2O3/c1-29-14-12-27(35)33-25(29)9-7-22-23-8-10-26(30(23,2)13-11-24(22)29)37-28(36)19-20-3-5-21(6-4-20)34(17-15-31)18-16-32/h3-6,9,22-24,26H,7-8,10-19H2,1-2H3,(H,33,35)/t22-,23-,24-,26-,29+,30-/m0/s1
InChIKey	CTTZEKNSIWKPOQ-QPZGPXIBSA-N
Molecular Weight	547.567 g/mol
SMILES	N1C(CC[C@]2(C1=CC[C@@]1([C@@]2(CC[C@@]2([C@](CC[C@@]12[H])(OC(=O)Cc1ccc(N(CCCl)CCCl)cc1)[H])C)[H])[H])C)=O
SPLASH	splash10-0002-6940740000-695cba7e94e60564f9b0
Source of Spectrum	HE-1982-0-0
Synonyms	4-Aza-5-androsten-3-one, 17-.beta.-hydroxy-p-[N,N-bis(chloroethyl)amine]-phenylacetate- 4-Azaandrost-5-en-3-one, 17-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, ( 4-Azaandrost-5-en-3-one, 17-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (17.beta.)- 4-Azaandrost-5-en-3-one, 17-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (17beta)- 4a,6a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11-tetradecahydro-2H-indeno[5,4-f]quinolin-7-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Wiley ID	1405253