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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20N8O5.2Na
Molecular Weight 498.4029
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOTREXATE SODIUM

SMILES

[Na+].[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=DASQOOZCTWOQPA-GXKRWWSZSA-L
InChI=1S/C20H22N8O5.2Na/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;2*+1/p-2/t13-;;/m0../s1

HIDE SMILES / InChI
Molecular Formula C20H20N8O5
Molecular Weight 452.4234
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:57:43 UTC 2023
Edited
by admin
on Fri Dec 15 14:57:43 UTC 2023
Record UNII
3IG1E710ZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHOTREXATE SODIUM
MART.   ORANGE BOOK   VANDF   WHO-DD  
Common Name English
ABITREXATE
Brand Name English
METHOTREXATE SODIUM SALT
Common Name English
METHOTREXATE (AS DISODIUM)
Common Name English
METHOTREXATE SODIUM [VANDF]
Common Name English
MEXATE
Brand Name English
Methotrexate sodium [WHO-DD]
Common Name English
TREXALL
Brand Name English
ADX-2191 SODIUM
Code English
METHOTREXATE DISODIUM
Common Name English
SODIUM L-(+)-METHOTREXATE
Common Name English
FOLEX
Brand Name English
DISODIUM METHOTREXATE
Common Name English
METHOTREXATE SODIUM [ORANGE BOOK]
Common Name English
METHOTREXATE DISODIUM SALT [MI]
Common Name English
METHOTREXATE DISODIUM SALT
MI  
Common Name English
METHOTREXATE SODIUM [MART.]
Common Name English
METHOTREXATE, SODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2153
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
FDA ORPHAN DRUG 9985
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
NCI_THESAURUS C511
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
Code System Code Type Description
CAS
7413-34-5
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
EVMPD
SUB03225MIG
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
FDA UNII
3IG1E710ZN
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
NCI_THESAURUS
C1735
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
WIKIPEDIA
Methotrexate sodium
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
CHEBI
50679
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
CAS
15475-56-6
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CHEBI
44185
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
RXCUI
287734
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY RxNorm
PUBCHEM
11329481
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
DRUG BANK
DBSALT000115
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
EVMPD
SUB16442MIG
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-022-0
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL34259
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
MERCK INDEX
m7327
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID3037123
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-495-5
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
ALTERNATIVE
SMS_ID
100000078565
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
DAILYMED
3IG1E710ZN
Created by admin on Fri Dec 15 14:57:43 UTC 2023 , Edited by admin on Fri Dec 15 14:57:43 UTC 2023
PRIMARY
Related Record Type Details
Structure of METHOTREXATE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of METHOTREXATE
ACTIVE MOIETY
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