U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H31N5O7
Molecular Weight 549.575
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

CC1(C)CN([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=XUUIOBUHQIYLMU-FMLGWJCWSA-N
InChI=1S/C28H31N5O7/c1-28(2)14-33(26-22(36)20(34)21(35)23(40-26)27(38)39)19-12-16(5-6-18(19)28)32-25(37)17-4-3-9-30-24(17)31-13-15-7-10-29-11-8-15/h3-12,20-23,26,34-36H,13-14H2,1-2H3,(H,30,31)(H,32,37)(H,38,39)/t20-,21-,22+,23-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H31N5O7
Molecular Weight 549.575
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 16:00:34 GMT 2023
Edited
by admin
on Sat Dec 16 16:00:34 GMT 2023
Record UNII
R7F7L74HXU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(2,3-DIHYDRO-3,3-DIMETHYL-6-(((2-((4-PYRIDINYLMETHYL)AMINO)-3-PYRIDINYL)CARBONYL)AMINO)-1H-INDOL-1-YL)-
Systematic Name English
MOTESANIB METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
156596536
Created by admin on Sat Dec 16 16:00:34 GMT 2023 , Edited by admin on Sat Dec 16 16:00:34 GMT 2023
PRIMARY
CAS
1182283-85-7
Created by admin on Sat Dec 16 16:00:34 GMT 2023 , Edited by admin on Sat Dec 16 16:00:34 GMT 2023
PRIMARY
FDA UNII
R7F7L74HXU
Created by admin on Sat Dec 16 16:00:34 GMT 2023 , Edited by admin on Sat Dec 16 16:00:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR