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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H23N7O8
Molecular Weight 501.4494
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,10-DIFORMYLTETRAHYDROFOLIC ACID

SMILES

NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1

InChI

InChIKey=NQACWOLNMUVBMP-KZUDCZAMSA-N
InChI=1S/C21H23N7O8/c22-21-25-17-16(19(34)26-21)28(10-30)13(7-23-17)8-27(9-29)12-3-1-11(2-4-12)18(33)24-14(20(35)36)5-6-15(31)32/h1-4,9-10,13-14H,5-8H2,(H,24,33)(H,31,32)(H,35,36)(H4,22,23,25,26,34)/t13?,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23N7O8
Molecular Weight 501.4494
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:53 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:53 UTC 2023
Record UNII
VH29BN3FKN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,10-DIFORMYLTETRAHYDROFOLIC ACID
Systematic Name English
CALCIUM FOLINATE IMPURITY B [EP IMPURITY]
Common Name English
(2S)-2-((4-((((6RS)-2-AMINO-5-FORMYL-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)METHYL)FORMYLAMINO)BENZOYL)AMINO)PENTANEDIOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
VH29BN3FKN
Created by admin on Sat Dec 16 10:37:53 UTC 2023 , Edited by admin on Sat Dec 16 10:37:53 UTC 2023
PRIMARY
PUBCHEM
139025760
Created by admin on Sat Dec 16 10:37:53 UTC 2023 , Edited by admin on Sat Dec 16 10:37:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP