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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO4
Molecular Weight 357.4434
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXYTRAXOPRODIL

SMILES

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

InChI

InChIKey=CAGLIAGCBUSTQI-MGPUTAFESA-N
InChI=1S/C21H27NO4/c1-15(20(24)16-8-9-18(23)19(14-16)26-2)22-12-10-21(25,11-13-22)17-6-4-3-5-7-17/h3-9,14-15,20,23-25H,10-13H2,1-2H3/t15-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27NO4
Molecular Weight 357.4434
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 16:16:22 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:22 UTC 2023
Record UNII
10DO3K28LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXYTRAXOPRODIL
Common Name English
TRAXOPRODIL METABOLITE M13
Common Name English
(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL
Systematic Name English
1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (.ALPHA.S,.BETA.S)-
Systematic Name English
(1S,2S)-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)PROPAN-1-OL
Systematic Name English
Code System Code Type Description
FDA UNII
10DO3K28LK
Created by admin on Sat Dec 16 16:16:22 UTC 2023 , Edited by admin on Sat Dec 16 16:16:22 UTC 2023
PRIMARY
PUBCHEM
10132979
Created by admin on Sat Dec 16 16:16:22 UTC 2023 , Edited by admin on Sat Dec 16 16:16:22 UTC 2023
PRIMARY
CAS
178457-09-5
Created by admin on Sat Dec 16 16:16:22 UTC 2023 , Edited by admin on Sat Dec 16 16:16:22 UTC 2023
PRIMARY
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