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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24N12O7
Molecular Weight 616.545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-[4-[bis[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzamido]pentanedioic acid

SMILES

NC1=NC(=O)C2=NC(CN(CC3=CNC4=NC(N)=NC(=O)C4=N3)C5=CC=C(C=C5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CNC2=N1

InChI

InChIKey=HTFSBJVLFFEYIV-HNNXBMFYSA-N
InChI=1S/C26H24N12O7/c27-25-34-19-17(22(42)36-25)31-12(7-29-19)9-38(10-13-8-30-20-18(32-13)23(43)37-26(28)35-20)14-3-1-11(2-4-14)21(41)33-15(24(44)45)5-6-16(39)40/h1-4,7-8,15H,5-6,9-10H2,(H,33,41)(H,39,40)(H,44,45)(H3,27,29,34,36,42)(H3,28,30,35,37,43)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24N12O7
Molecular Weight 616.545
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:31 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:31 GMT 2025
Record UNII
B8AS2N4N67
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-[4-[bis[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzamido]pentanedioic acid
Systematic Name English
6-pterinylfolic acid
Preferred Name English
L-Glutamic acid, N-[4-[bis[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
Systematic Name English
FOLIC ACID HYDRATE IMPURITY E [EP IMPURITY]
Common Name English
N-[4-[Bis[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
Common Name English
Code System Code Type Description
FDA UNII
B8AS2N4N67
Created by admin on Wed Apr 02 17:39:31 GMT 2025 , Edited by admin on Wed Apr 02 17:39:31 GMT 2025
PRIMARY
PUBCHEM
136234060
Created by admin on Wed Apr 02 17:39:31 GMT 2025 , Edited by admin on Wed Apr 02 17:39:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID301125226
Created by admin on Wed Apr 02 17:39:31 GMT 2025 , Edited by admin on Wed Apr 02 17:39:31 GMT 2025
PRIMARY
CAS
1391068-26-0
Created by admin on Wed Apr 02 17:39:31 GMT 2025 , Edited by admin on Wed Apr 02 17:39:31 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY