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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31N5O9
Molecular Weight 593.5845
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(2,3-DIHYDRO-3,3-DIMETHYL-6-(((2-((4-PYRIDINYLMETHYL)AMINO)-3-PYRIDINYL)CARBONYL)AMINO)-1H-INDOLE-1-CARBOXYLATE)

SMILES

CC1(C)CN(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C1C=CC(NC(=O)C4=CC=CN=C4NCC5=CC=NC=C5)=C3

InChI

InChIKey=PZEXFDFEUNSUKB-LHAUQXRRSA-N
InChI=1S/C29H31N5O9/c1-29(2)14-34(28(41)43-27-22(37)20(35)21(36)23(42-27)26(39)40)19-12-16(5-6-18(19)29)33-25(38)17-4-3-9-31-24(17)32-13-15-7-10-30-11-8-15/h3-12,20-23,27,35-37H,13-14H2,1-2H3,(H,31,32)(H,33,38)(H,39,40)/t20-,21-,22+,23-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H31N5O9
Molecular Weight 593.5845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:10:20 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:20 UTC 2023
Record UNII
1O95S36Q60
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(2,3-DIHYDRO-3,3-DIMETHYL-6-(((2-((4-PYRIDINYLMETHYL)AMINO)-3-PYRIDINYL)CARBONYL)AMINO)-1H-INDOLE-1-CARBOXYLATE)
Systematic Name English
MOTESANIB METABOLITE M1A
Common Name English
Code System Code Type Description
CAS
1182283-88-0
Created by admin on Sat Dec 16 16:10:20 UTC 2023 , Edited by admin on Sat Dec 16 16:10:20 UTC 2023
PRIMARY
PUBCHEM
154572896
Created by admin on Sat Dec 16 16:10:20 UTC 2023 , Edited by admin on Sat Dec 16 16:10:20 UTC 2023
PRIMARY
FDA UNII
1O95S36Q60
Created by admin on Sat Dec 16 16:10:20 UTC 2023 , Edited by admin on Sat Dec 16 16:10:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE