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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

SMILES

Cl.CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(O)=O.CN(CC4=NC5=C(N)N=C(N)N=C5N=C4)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

Approval Year

Patents
Name Type Language
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   USP-RS  
Common 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 Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
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PUBCHEM
66957731
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY
FDA UNII
037BJM6602
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY
RS_ITEM_NUM
1414058
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY