SCH-609528

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31FN2O6
Molecular Weight	522.5646
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\C4=NC=C(C=C4)C5=CC=CC(F)=C5)[C@H]12)NC(=O)OCC(O)=O

InChI

InChIKey=MWFWHICQILZXSQ-XMEGWQNCSA-N

InChI=1S/C29H31FN2O6/c1-16-27-24(10-7-21-6-5-18(14-31-21)17-3-2-4-20(30)11-17)23-9-8-22(32-29(36)37-15-26(33)34)12-19(23)13-25(27)28(35)38-16/h2-7,10-11,14,16,19,22-25,27H,8-9,12-13,15H2,1H3,(H,32,36)(H,33,34)/b10-7+/t16-,19+,22-,23-,24+,25-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H31FN2O6
Molecular Weight	522.5646
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:55:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:55:21 GMT 2025`
Record UNII	68Z4L9GR8Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCH-530348 METABOLITE M16

Preferred Name

English

SCH-609528

Common Name

English

VORAPAXAR METABOLITE M16

Common Name

English

ACETIC ACID, 2-(((((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(5-(3-FLUOROPHENYL)-2-PYRIDINYL)ETHENYL)DODECAHYDRO-1-METHYL-3-OXONAPHTHO(2,3-C)FURAN-6-YL)AMINO)CARBONYL)OXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

68Z4L9GR8Q

Created by admin on Mon Mar 31 22:55:21 GMT 2025 , Edited by admin on Mon Mar 31 22:55:21 GMT 2025

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CAS

618385-66-3

Created by admin on Mon Mar 31 22:55:21 GMT 2025 , Edited by admin on Mon Mar 31 22:55:21 GMT 2025

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PUBCHEM

24830431

Created by admin on Mon Mar 31 22:55:21 GMT 2025 , Edited by admin on Mon Mar 31 22:55:21 GMT 2025

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