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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O8
Molecular Weight 234.1602
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4-BUTANETETRACARBOXYLIC ACID, MESO-

SMILES

OC(=O)C[C@@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=GGAUUQHSCNMCAU-ZXZARUISSA-N
InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t3-,4+

HIDE SMILES / InChI

Molecular Formula C8H10O8
Molecular Weight 234.1602
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:30:42 GMT 2025
Edited
by admin
on Tue Apr 01 16:30:42 GMT 2025
Record UNII
5A3KY454MZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-21371
Preferred Name English
1,2,3,4-BUTANETETRACARBOXYLIC ACID, MESO-
Common Name English
1,2,3,4-BUTANETETRACARBOXYLIC ACID
Systematic Name English
BTCA
Common Name English
3,4-DICARBOXYHEXANEDIOIC ACID
Systematic Name English
1,2,3,4-BUTANETETRACARBOXYLIC ACID, (2R,3S)-REL-
Systematic Name English
TCB
Common Name English
Code System Code Type Description
PUBCHEM
6992626
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
CAS
4534-68-3
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
ALTERNATIVE
NSC
21371
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID6024670
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
FDA UNII
5A3KY454MZ
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-938-0
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
CAS
1703-58-8
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY
SMS_ID
300000041452
Created by admin on Tue Apr 01 16:30:42 GMT 2025 , Edited by admin on Tue Apr 01 16:30:42 GMT 2025
PRIMARY