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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31N9O10
Molecular Weight 689.6321
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid

SMILES

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)=CNC2=N1

InChI

InChIKey=NJIKISQEZZPADF-SFTDATJTSA-N
InChI=1S/C31H31N9O10/c32-31-39-25-24(28(46)40-31)36-19(14-34-25)13-33-17-5-1-15(2-6-17)26(44)37-20(29(47)48)9-11-22(41)35-18-7-3-16(4-8-18)27(45)38-21(30(49)50)10-12-23(42)43/h1-8,14,20-21,33H,9-13H2,(H,35,41)(H,37,44)(H,38,45)(H,42,43)(H,47,48)(H,49,50)(H3,32,34,39,40,46)/t20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid
Common Name English
FOLIC ACID HYDRATE IMPURITY H [EP IMPURITY]
Common Name English
L-Glutamic acid, N-[4-[[(4S)-4-[[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-
Systematic Name English
(2S)-2-[4-[(4S)-4-[4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzamido]-4-carboxybutanamido]benzamido]pentanedioic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
141747970
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY
FDA UNII
U68SZW9XKL
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY
CAS
2366274-27-1
Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023
PRIMARY