CDB-4453

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37NO5
Molecular Weight	491.6185
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC=C(C=C1)[C@H]2C[C@@]3(C)[C@@H](CC[C@]3(OC(C)=O)C(=O)COC)[C@@H]4CCC5=CC(=O)CCC5=C24

InChI

InChIKey=MCABXKINPWWXRD-GJDJGZIVSA-N

InChI=1S/C30H37NO5/c1-18(32)36-30(27(34)17-35-4)14-13-26-24-11-7-20-15-22(33)10-12-23(20)28(24)25(16-29(26,30)2)19-5-8-21(31-3)9-6-19/h5-6,8-9,15,24-26,31H,7,10-14,16-17H2,1-4H3/t24-,25+,26-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H37NO5
Molecular Weight	491.6185
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:50 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:50 GMT 2025`
Record UNII	48I9KM8WV8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONODEMETHYLATED TELAPRISTONE ACETATE

Preferred Name

English

CDB-4453

Common Name

English

19-NORPREGNA-4,9-DIENE-3,20-DIONE, 17-(ACETYLOXY)-21-METHOXY-11-(4-(METHYLAMINO)PHENYL)-, (11.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

365416-28-0

Created by admin on Mon Mar 31 22:56:50 GMT 2025 , Edited by admin on Mon Mar 31 22:56:50 GMT 2025

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EPA CompTox

DTXSID10190042

Created by admin on Mon Mar 31 22:56:50 GMT 2025 , Edited by admin on Mon Mar 31 22:56:50 GMT 2025

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PUBCHEM

56842811

Created by admin on Mon Mar 31 22:56:50 GMT 2025 , Edited by admin on Mon Mar 31 22:56:50 GMT 2025

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FDA UNII

48I9KM8WV8

Created by admin on Mon Mar 31 22:56:50 GMT 2025 , Edited by admin on Mon Mar 31 22:56:50 GMT 2025

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Related Record Type Details


					1K9EYK92PQ

TELAPRISTONE ACETATE

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