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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N2O5
Molecular Weight 394.4213
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMETHYL AMBRISENTAN

SMILES

Cc1cc(CO)nc(n1)O[C@]([H])(C(=O)O)C(c2ccccc2)(c3ccccc3)OC

InChI

InChIKey=PDUAYPFMBRYSNN-LJQANCHMSA-N
InChI=1S/C22H22N2O5/c1-15-13-18(14-25)24-21(23-15)29-19(20(26)27)22(28-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19,25H,14H2,1-2H3,(H,26,27)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22N2O5
Molecular Weight 394.4213
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:01:50 UTC 2021
Edited
by admin
on Sat Jun 26 06:01:50 UTC 2021
Record UNII
Q55T0406HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYMETHYL AMBRISENTAN
Common Name English
4-HYDROXYMETHYL AMBRISENTAN, (+)-
Common Name English
BENZENEPROPANOIC ACID, .ALPHA.-((4-(HYDROXYMETHYL)-6-METHYL-2-PYRIMIDINYL)OXY)-.BETA.-METHOXY-.BETA.-PHENYL-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
CAS
1106685-66-8
Created by admin on Sat Jun 26 06:01:50 UTC 2021 , Edited by admin on Sat Jun 26 06:01:50 UTC 2021
PRIMARY
PUBCHEM
25183815
Created by admin on Sat Jun 26 06:01:50 UTC 2021 , Edited by admin on Sat Jun 26 06:01:50 UTC 2021
PRIMARY
FDA UNII
Q55T0406HK
Created by admin on Sat Jun 26 06:01:50 UTC 2021 , Edited by admin on Sat Jun 26 06:01:50 UTC 2021
PRIMARY
Related Record Type Details
METABOLITE -> PARENT