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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H23ClN4O6
Molecular Weight 522.937
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4-CHLOROPHENYL)(4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)N(C2=CC=C(Cl)C=C2)C3=NN=C(CC4=CC=NC=C4)C5=C3C=CC=C5

InChI

InChIKey=PSCUASWLRYFAQP-LYVDORBWSA-N
InChI=1S/C26H23ClN4O6/c27-15-5-7-16(8-6-15)31(25-22(34)20(32)21(33)23(37-25)26(35)36)24-18-4-2-1-3-17(18)19(29-30-24)13-14-9-11-28-12-10-14/h1-12,20-23,25,32-34H,13H2,(H,35,36)/t20-,21-,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H23ClN4O6
Molecular Weight 522.937
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 16:10:04 GMT 2023
Edited
by admin
on Sat Dec 16 16:10:04 GMT 2023
Record UNII
6L43JT952Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((4-CHLOROPHENYL)(4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4-CHLOROPHENYL)(4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-1-DEOXY-
Systematic Name English
VATALANIB METABOLITE M15
Common Name English
Code System Code Type Description
CAS
921198-67-6
Created by admin on Sat Dec 16 16:10:04 GMT 2023 , Edited by admin on Sat Dec 16 16:10:04 GMT 2023
PRIMARY
FDA UNII
6L43JT952Q
Created by admin on Sat Dec 16 16:10:04 GMT 2023 , Edited by admin on Sat Dec 16 16:10:04 GMT 2023
PRIMARY
PUBCHEM
156028063
Created by admin on Sat Dec 16 16:10:04 GMT 2023 , Edited by admin on Sat Dec 16 16:10:04 GMT 2023
PRIMARY
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