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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20N8O5.Na.H
Molecular Weight 476.4211
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOTREXATE MONOSODIUM

SMILES

[H+].[Na+].CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O

InChI

InChIKey=BKBBTCORRZMASO-ZOWNYOTGSA-M
InChI=1S/C20H22N8O5.Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);/q;+1/p-1/t13-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHOTREXATE MONOSODIUM
Common Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, MONOSODIUM SALT
Common Name English
SODIUM 4-AMINO-10-METHYLPTEROYLGLUTAMATE
Common Name English
Code System Code Type Description
PUBCHEM
23678981
Created by admin on Sat Dec 16 09:23:40 UTC 2023 , Edited by admin on Sat Dec 16 09:23:40 UTC 2023
PRIMARY
CAS
7532-09-4
Created by admin on Sat Dec 16 09:23:40 UTC 2023 , Edited by admin on Sat Dec 16 09:23:40 UTC 2023
PRIMARY
FDA UNII
87WE99J27Z
Created by admin on Sat Dec 16 09:23:40 UTC 2023 , Edited by admin on Sat Dec 16 09:23:40 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-398-6
Created by admin on Sat Dec 16 09:23:40 UTC 2023 , Edited by admin on Sat Dec 16 09:23:40 UTC 2023
PRIMARY
SMS_ID
100000090115
Created by admin on Sat Dec 16 09:23:40 UTC 2023 , Edited by admin on Sat Dec 16 09:23:40 UTC 2023
PRIMARY