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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N2O10
Molecular Weight 554.5463
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMBRISENTAN ACYL .BETA.-D-GLUCURONIDE

SMILES

Cc1cc(C)nc(n1)O[C@]([H])(C(=O)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)C(c3ccccc3)(c4ccccc4)OC

InChI

InChIKey=QBHJFBFSJYTXDX-MVTLKLODSA-N
InChI=1S/C28H30N2O10/c1-15-14-16(2)30-27(29-15)39-23(25(36)40-26-21(33)19(31)20(32)22(38-26)24(34)35)28(37-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19-23,26,31-33H,1-3H3,(H,34,35)/t19-,20-,21+,22-,23+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N2O10
Molecular Weight 554.5463
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:13:52 UTC 2021
Edited
by admin
on Sat Jun 26 05:13:52 UTC 2021
Record UNII
5EH35FF002
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMBRISENTAN ACYL .BETA.-D-GLUCURONIDE
Common Name English
AMBRISENTAN ACYL .BETA.-D-GLUCURONIDE, (-)-
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((.ALPHA.S)-.ALPHA.-((4,6-DIMETHYL-2-PYRIMIDINYL)OXY)-.BETA.-METHOXY-.BETA.-PHENYLBENZENEPROPANOATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
25183667
Created by admin on Sat Jun 26 05:13:52 UTC 2021 , Edited by admin on Sat Jun 26 05:13:52 UTC 2021
PRIMARY
EPA CompTox
1106685-58-8
Created by admin on Sat Jun 26 05:13:52 UTC 2021 , Edited by admin on Sat Jun 26 05:13:52 UTC 2021
PRIMARY
FDA UNII
5EH35FF002
Created by admin on Sat Jun 26 05:13:52 UTC 2021 , Edited by admin on Sat Jun 26 05:13:52 UTC 2021
PRIMARY
CAS
1106685-58-8
Created by admin on Sat Jun 26 05:13:52 UTC 2021 , Edited by admin on Sat Jun 26 05:13:52 UTC 2021
PRIMARY
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