4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID

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

Structure Search

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

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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

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


					YL5FZ2Y5U1

METHOTREXATE

PARENT -> METABOLITE INACTIVE

Qualification:

URINE

Amount:

Related Record Type Details


					YL5FZ2Y5U1

METHOTREXATE

PARENT -> IMPURITY

Comments:

For the calculation of contents, multiply the peak areas by 0.8

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: