3-CHLORO-5-CHOLESTANO(5,6-B)-N-PHTHALIMIDOAZIRIDINE, (3.BETA., 5.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H49ClN2O2
Molecular Weight	565.229
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLORO-5-CHOLESTANO(5,6-B)-N-PHTHALIMIDOAZIRIDINE, (3.BETA., 5.ALPHA.)-

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H]4N(N5C(=O)C6=C(C=CC=C6)C5=O)[C@@]47C[C@@H](Cl)CC[C@]7(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=RCQVCZWDZMGIJP-PTALFMFVSA-N

InChI=1S/C35H49ClN2O2/c1-21(2)9-8-10-22(3)27-13-14-28-26-19-30-35(38(30)37-31(39)24-11-6-7-12-25(24)32(37)40)20-23(36)15-18-34(35,5)29(26)16-17-33(27,28)4/h6-7,11-12,21-23,26-30H,8-10,13-20H2,1-5H3/t22-,23+,26+,27-,28+,29+,30+,33-,34-,35+,38?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H49ClN2O2
Molecular Weight	565.229
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:58:28 GMT 2023` Edited by `admin` on `Sat Dec 16 08:58:28 GMT 2023`
Record UNII	C7FY2ZEZ7H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-CHLORO-5-CHOLESTANO(5,6-B)-N-PHTHALIMIDOAZIRIDINE, (3.BETA., 5.ALPHA.)-

Common Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-((3.BETA.,5R,6.BETA.)-3-CHLOROCHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-

Systematic Name

English

3BETA-CHLORO-5ALPHA-CHOLESTANO(5,6-B)-N-PHTHALIMIDOAZIRIDINE

Common Name

English

Code System Code Type Description

CAS

118517-21-8

Created by admin on Sat Dec 16 08:58:28 GMT 2023 , Edited by admin on Sat Dec 16 08:58:28 GMT 2023

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FDA UNII

C7FY2ZEZ7H

Created by admin on Sat Dec 16 08:58:28 GMT 2023 , Edited by admin on Sat Dec 16 08:58:28 GMT 2023

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PUBCHEM

147257

Created by admin on Sat Dec 16 08:58:28 GMT 2023 , Edited by admin on Sat Dec 16 08:58:28 GMT 2023

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EPA CompTox

DTXSID20922699

Created by admin on Sat Dec 16 08:58:28 GMT 2023 , Edited by admin on Sat Dec 16 08:58:28 GMT 2023

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