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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33NO9
Molecular Weight 503.5415
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

[H][C@@]4(O[C@H]([C@H](C)N1CCC(O)(CC1)C2=CC=CC=C2)C3=CC=C(O)C=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=ZRTICIDPTVHLRR-XWVIOEDWSA-N
InChI=1S/C26H33NO9/c1-15(27-13-11-26(34,12-14-27)17-5-3-2-4-6-17)22(16-7-9-18(28)10-8-16)35-25-21(31)19(29)20(30)23(36-25)24(32)33/h2-10,15,19-23,25,28-31,34H,11-14H2,1H3,(H,32,33)/t15-,19-,20-,21+,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H33NO9
Molecular Weight 503.5415
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:18 UTC 2023
Edited
by admin
on Sat Dec 16 16:09:18 UTC 2023
Record UNII
N6Z8D6O9FV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL
Systematic Name English
TRAXOPRODIL METABOLITE M18
Common Name English
Code System Code Type Description
FDA UNII
N6Z8D6O9FV
Created by admin on Sat Dec 16 16:09:18 UTC 2023 , Edited by admin on Sat Dec 16 16:09:18 UTC 2023
PRIMARY
PUBCHEM
154584963
Created by admin on Sat Dec 16 16:09:19 UTC 2023 , Edited by admin on Sat Dec 16 16:09:19 UTC 2023
PRIMARY
CAS
548464-36-4
Created by admin on Sat Dec 16 16:09:18 UTC 2023 , Edited by admin on Sat Dec 16 16:09:18 UTC 2023
PRIMARY
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