 Home > Encyclopedia > [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate

[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate

[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate structure

CAS No:
124824-12-0
Formula:
C28H36INO3
Chemical Name:
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate
Synonyms:
4-IPPC;N-(4-iodophenyl)pregnenolone 3-carbamate;124824-12-0;(3beta)-20-oxopregn-5-en-3-yl (4-iodophenyl)carbamate;4-Ippc;N-(4-Iodophenyl)pregnenolone 3-carbamate;DTXSID10924940;(3beta)-3-((((4-Iodophenyl)amino)carbonyl)oxy)pregn-5-en-20-one;ZINC118938341;20-Oxopregn-5-en-3-yl (4-iodophenyl)carbamate;Pregn-5-en-20-one, 3-((((4-iodophenyl)amino)carbonyl)oxy)-, (3beta)-

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[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate Basic Attributes

Molecular Weight：

561.5 g/mol

Exact Mass：

561.17399 g/mol

Characteristics

PSA：

55.4 Å²

Drug Information

MeSH Entry Terms：

4-IPPC

Computed Properties

Molecular Weight:561.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:561.17399
Monoisotopic Mass:561.17399
Topological Polar Surface Area:55.4
Heavy Atom Count:33
Complexity:818
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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