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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H29N9O6
Molecular Weight 587.5876
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-((4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)METHYLAMINO)BENZOYL)METHYLAMINO)BENZOYL)AMINO)PENTANEDIOIC ACID, (2S)-

SMILES

CN(Cc1cnc2c(c(N)[nH]c(=N)n2)n1)c3ccc(cc3)C(=O)N(C)c4ccc(cc4)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI

InChIKey=HTBPLFOCHFUAFG-FQEVSTJZSA-N
InChI=1S/C28H29N9O6/c1-36(14-17-13-31-24-22(32-17)23(29)34-28(30)35-24)18-7-5-16(6-8-18)26(41)37(2)19-9-3-15(4-10-19)25(40)33-20(27(42)43)11-12-21(38)39/h3-10,13,20H,11-12,14H2,1-2H3,(H,33,40)(H,38,39)(H,42,43)(H4,29,30,31,34,35)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H29N9O6
Molecular Weight 587.5876
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 Sat Jun 26 11:38:00 UTC 2021
Edited
by admin
on Sat Jun 26 11:38:00 UTC 2021
Record UNII
32WF1U74I4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-((4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)METHYLAMINO)BENZOYL)METHYLAMINO)BENZOYL)AMINO)PENTANEDIOIC ACID, (2S)-
Common Name English
(2S)-2-((4-((4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)METHYLAMINO)BENZOYL)METHYLAMINO)BENZOYL)AMINO)PENTANEDIOIC ACID
Systematic Name English
METHOTREXATE IMPURITY G [EP]
Common Name English
Code System Code Type Description
FDA UNII
32WF1U74I4
Created by admin on Sat Jun 26 11:38:00 UTC 2021 , Edited by admin on Sat Jun 26 11:38:00 UTC 2021
PRIMARY
PUBCHEM
76962637
Created by admin on Sat Jun 26 11:38:00 UTC 2021 , Edited by admin on Sat Jun 26 11:38:00 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP