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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35NO10
Molecular Weight 533.5675
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

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

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[C@H](O)[C@H](C)N3CCC(O)(CC3)C4=CC=CC=C4

InChI

InChIKey=NPIYGOFHIBHDIS-VMRFNXPPSA-N
InChI=1S/C27H35NO10/c1-15(28-12-10-27(35,11-13-28)17-6-4-3-5-7-17)20(29)16-8-9-18(19(14-16)36-2)37-26-23(32)21(30)22(31)24(38-26)25(33)34/h3-9,14-15,20-24,26,29-32,35H,10-13H2,1-2H3,(H,33,34)/t15-,20+,21-,22-,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H35NO10
Molecular Weight 533.5675
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 16:16:25 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:25 UTC 2023
Record UNII
QFG40ZGB0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)-2-METHOXYPHENYL
Systematic Name English
4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)-2-METHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
TRAXOPRODIL METABOLITE M7
Common Name English
Code System Code Type Description
FDA UNII
QFG40ZGB0F
Created by admin on Sat Dec 16 16:16:25 UTC 2023 , Edited by admin on Sat Dec 16 16:16:25 UTC 2023
PRIMARY
PUBCHEM
154585030
Created by admin on Sat Dec 16 16:16:25 UTC 2023 , Edited by admin on Sat Dec 16 16:16:25 UTC 2023
PRIMARY
CAS
548464-40-0
Created by admin on Sat Dec 16 16:16:25 UTC 2023 , Edited by admin on Sat Dec 16 16:16:25 UTC 2023
PRIMARY
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