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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15N7O2
Molecular Weight 325.3259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID

SMILES

CN(Cc1cnc2c(c(N)[nH]c(=N)n2)n1)c3ccc(cc3)C(=O)O

InChI

InChIKey=LWCXZSDKANNOAR-UHFFFAOYSA-N
InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)

HIDE SMILES / InChI

Molecular Formula C15H15N7O2
Molecular Weight 325.3259
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 08:32:40 UTC 2021
Edited
by admin
on Sat Jun 26 08:32:40 UTC 2021
Record UNII
P7OVP484DX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID
Common Name English
NSC-133723
Code English
METHOTREXATE RELATED COMPOUND E FREE ACID [USP]
Common Name English
NSC-131463
Code English
4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)METHYLAMINO)BENZOIC ACID
Systematic Name English
DAMPA
Common Name English
BENZOIC ACID, 4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-
Systematic Name English
METHOTREXATE SPECIFIED IMPURITY E [EP]
Common Name English
METHOTREXATE RELATED COMPOUND E FREE ACID
USP  
Common Name English
4-(N-((2,4-DIAMINOPYRIMIDO(4,5-B)PYRAZIN-6-YL)METHYL)-N-METHYLAMINO)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
19741-14-1
Created by admin on Sat Jun 26 08:32:40 UTC 2021 , Edited by admin on Sat Jun 26 08:32:40 UTC 2021
PRIMARY
EPA CompTox
19741-14-1
Created by admin on Sat Jun 26 08:32:40 UTC 2021 , Edited by admin on Sat Jun 26 08:32:40 UTC 2021
PRIMARY
FDA UNII
P7OVP484DX
Created by admin on Sat Jun 26 08:32:40 UTC 2021 , Edited by admin on Sat Jun 26 08:32:40 UTC 2021
PRIMARY
PUBCHEM
72441
Created by admin on Sat Jun 26 08:32:40 UTC 2021 , Edited by admin on Sat Jun 26 08:32:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
URINE
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.8
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP