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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

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

Molecular Formula C21H27NO7S
Molecular Weight 437.507
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:50 UTC 2023
Edited
by admin
on Sat Dec 16 16:11:50 UTC 2023
Record UNII
YP9FAX272T
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 16:11:50 UTC 2023
PRIMARY
FDA UNII
YP9FAX272T
Created by admin on Sat Dec 16 16:11:50 UTC 2023 , Edited by admin on Sat Dec 16 16:11:50 UTC 2023
PRIMARY
CAS
548464-39-7
Created by admin on Sat Dec 16 16:11:50 UTC 2023 , Edited by admin on Sat Dec 16 16:11:50 UTC 2023
PRIMARY
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