4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID, HEMIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C15H15N7O2.ClH
Molecular Weight	687.112
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, HEMIHYDROCHLORIDE

Structure Search

SMILES

Cl.CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C3=CC=C(C=C3)C(O)=O.CN(CC4=CN=C5N=C(N)N=C(N)C5=N4)C6=CC=C(C=C6)C(O)=O

InChI

InChIKey=WWFYKUISNIJHNQ-UHFFFAOYSA-N

InChI=1S/2C15H15N7O2.ClH/c2*1-22(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*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H

HIDE SMILES / InChI

Molecular Formula	C15H15N7O2
Molecular Weight	325.3253
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
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 `Mon Mar 31 21:46:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:58 GMT 2025`
Record UNII	037BJM6602
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHOTREXATE RELATED COMPOUND E

Preferred Name

English

4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID, HEMIHYDROCHLORIDE

Common Name

English

BENZOIC ACID, 4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)-, HYDROCHLORIDE (2:1)

Systematic Name

English

METHOTREXATE RELATED COMPOUND E [USP IMPURITY]

Common Name

English

METHOTREXATE RELATED COMPOUND E [USP-RS]

Common Name

English

Code System Code Type Description

CAS

70844-48-3

Created by admin on Mon Mar 31 21:46:58 GMT 2025 , Edited by admin on Mon Mar 31 21:46:58 GMT 2025

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PUBCHEM

66957731

Created by admin on Mon Mar 31 21:46:58 GMT 2025 , Edited by admin on Mon Mar 31 21:46:58 GMT 2025

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FDA UNII

037BJM6602

Created by admin on Mon Mar 31 21:46:58 GMT 2025 , Edited by admin on Mon Mar 31 21:46:58 GMT 2025

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RS_ITEM_NUM

1414058

Created by admin on Mon Mar 31 21:46:58 GMT 2025 , Edited by admin on Mon Mar 31 21:46:58 GMT 2025

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