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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO6S
Molecular Weight 407.481
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-1-PIPERIDINEETHANOL

SMILES

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

InChI

InChIKey=BDSRDHVHOVBKJG-HNAYVOBHSA-N
InChI=1S/C20H25NO6S/c1-15(19(22)16-7-9-18(10-8-16)27-28(24,25)26)21-13-11-20(23,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-23H,11-14H2,1H3,(H,24,25,26)/t15-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO6S
Molecular Weight 407.481
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 16:42:13 UTC 2023
Edited
by admin
on Sat Dec 16 16:42:13 UTC 2023
Record UNII
F42F7LF37H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(.ALPHA.S,.BETA.S)-4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-1-PIPERIDINEETHANOL
Systematic Name English
1-PIPERIDINEETHANOL, 4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-, (.ALPHA.S,.BETA.S)-
Systematic Name English
TRAXOPRODIL METABOLITE M19
Common Name English
Code System Code Type Description
FDA UNII
F42F7LF37H
Created by admin on Sat Dec 16 16:42:13 UTC 2023 , Edited by admin on Sat Dec 16 16:42:13 UTC 2023
PRIMARY
PUBCHEM
154584795
Created by admin on Sat Dec 16 16:42:13 UTC 2023 , Edited by admin on Sat Dec 16 16:42:13 UTC 2023
PRIMARY
CAS
548464-38-6
Created by admin on Sat Dec 16 16:42:13 UTC 2023 , Edited by admin on Sat Dec 16 16:42:13 UTC 2023
PRIMARY
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