Compound C21H29ClN2O4

[(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate

CAS: 54025-36-4

Molecular Formula	`C21H29ClN2O4`
Molecular Weight	408.9 g/mol
LogP	3.5
Topological Polar Surface Area	76.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	408.18158
Heavy Atoms	28
Complexity	696.0

Chemical Identifiers

CAS Number	54025-36-4
SMILES	`CC12CCC3C(C1CCC2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CCC34`
InChIKey	`KTQUNVRSLAGBSY-WLGSGIEKSA-N`

📖 Product Overview

Compound C21H29ClN2O4 (CAS: 54025-36-4) is a chemical compound with molecular formula C21H29ClN2O4 and molecular weight 408.9 g/mol. Its IUPAC systematic name is [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate. LogP 3.5 Topological Polar Surface Area 76.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 408.18158 Heavy Atoms 28 Complexity 696.0 InChI Key: KTQUNVRSLAGBSY-WLGSGIEKSA-N. SMILES: CC12CCC3C(C1CCC2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CCC34.

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