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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O7
Molecular Weight 310.2595
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACROMELIC ACID B

SMILES

OC(=O)C[C@@H]1[C@H](NC[C@@H]1C2=C(NC(=O)C=C2)C(O)=O)C(O)=O

InChI

InChIKey=YQDHGMPCSWNBFG-PJKMHFRUSA-N
InChI=1S/C13H14N2O7/c16-8-2-1-5(11(15-8)13(21)22)7-4-14-10(12(19)20)6(7)3-9(17)18/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14N2O7
Molecular Weight 310.2595
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:06 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:06 GMT 2023
Record UNII
V0973I7148
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACROMELIC ACID B
Common Name English
2-PYRIDINECARBOXYLIC ACID, 3-((3S,4S,5S)-5-CARBOXY-4-(CARBOXYMETHYL)-3-PYRROLIDINYL)-1,6-DIHYDRO-6-OXO-
Systematic Name English
(-)-ACROMELIC ACID B
Common Name English
2-PYRIDINECARBOXYLIC ACID, 3-(5-CARBOXY-4-(CARBOXYMETHYL)-3-PYRROLIDINYL)-1,6-DIHYDRO-6-OXO-, (3S-(3.ALPHA.,4.ALPHA.,5.BETA.))-
Common Name English
Code System Code Type Description
FDA UNII
V0973I7148
Created by admin on Fri Dec 15 18:32:06 GMT 2023 , Edited by admin on Fri Dec 15 18:32:06 GMT 2023
PRIMARY
CAS
86630-10-6
Created by admin on Fri Dec 15 18:32:06 GMT 2023 , Edited by admin on Fri Dec 15 18:32:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID40235733
Created by admin on Fri Dec 15 18:32:06 GMT 2023 , Edited by admin on Fri Dec 15 18:32:06 GMT 2023
PRIMARY
MESH
C438458
Created by admin on Fri Dec 15 18:32:06 GMT 2023 , Edited by admin on Fri Dec 15 18:32:06 GMT 2023
PRIMARY
PUBCHEM
158974
Created by admin on Fri Dec 15 18:32:06 GMT 2023 , Edited by admin on Fri Dec 15 18:32:06 GMT 2023
PRIMARY