(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO7S
Molecular Weight	437.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

Structure Search

SMILES

COC1=C(OS(O)(=O)=O)C=CC(=C1)[C@H](O)[C@H](C)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=XAIYJGKNFTUOTL-MGPUTAFESA-N

InChI=1S/C21H27NO7S/c1-15(22-12-10-21(24,11-13-22)17-6-4-3-5-7-17)20(23)16-8-9-18(19(14-16)28-2)29-30(25,26)27/h3-9,14-15,20,23-24H,10-13H2,1-2H3,(H,25,26,27)/t15-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

Systematic Name

English

1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-, (.ALPHA.S,.BETA.S)-

Systematic Name

English

TRAXOPRODIL METABOLITE M14

Common Name

English

Code System Code Type Description

PUBCHEM

154584998

Created by admin on Sat Dec 16 16:11:50 GMT 2023 , Edited by admin on Sat Dec 16 16:11:50 GMT 2023

PRIMARY

FDA UNII

YP9FAX272T

Created by admin on Sat Dec 16 16:11:50 GMT 2023 , Edited by admin on Sat Dec 16 16:11:50 GMT 2023

PRIMARY

CAS

548464-39-7

Created by admin on Sat Dec 16 16:11:50 GMT 2023 , Edited by admin on Sat Dec 16 16:11:50 GMT 2023

PRIMARY

PARENT (METABOLITE)


					UTC046R5HM

TRAXOPRODIL

SUBSTANCE RECORD


					YP9FAX272T

(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL