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Details

Stereochemistry EPIMERIC
Molecular Formula C29H30ClNO9
Molecular Weight 572.003
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-1H-PYRROLIZINE-5-ACETATE)

SMILES

CC1(CO)CN2C(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(C(=C2C1)C4=CC=CC=C4)C5=CC=C(Cl)C=C5

InChI

InChIKey=AWXPEZWURJEYLB-AHPCVZFSSA-N
InChI=1S/C29H30ClNO9/c1-29(14-32)12-19-22(15-5-3-2-4-6-15)21(16-7-9-17(30)10-8-16)18(31(19)13-29)11-20(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h2-10,23-26,28,32,34-36H,11-14H2,1H3,(H,37,38)/t23-,24-,25+,26-,28+,29?/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H30ClNO9
Molecular Weight 572.003
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:20 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:20 GMT 2023
Record UNII
8U5S9M5QLA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-1H-PYRROLIZINE-5-ACETATE)
Systematic Name English
LICOFELONE METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
156596510
Created by admin on Sat Dec 16 18:15:20 GMT 2023 , Edited by admin on Sat Dec 16 18:15:20 GMT 2023
PRIMARY
FDA UNII
8U5S9M5QLA
Created by admin on Sat Dec 16 18:15:20 GMT 2023 , Edited by admin on Sat Dec 16 18:15:20 GMT 2023
PRIMARY
CAS
1033702-61-2
Created by admin on Sat Dec 16 18:15:20 GMT 2023 , Edited by admin on Sat Dec 16 18:15:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE