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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18Cl2N8O5.2Na
Molecular Weight 567.293
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICHLOROMETHOTREXATE SODIUM

SMILES

[Na+].[Na+].CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=C(Cl)C=C(C=C3Cl)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O

InChI

InChIKey=IRMJZDNBCPOFSN-LTCKWSDVSA-L
InChI=1S/C20H20Cl2N8O5.2Na/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32;;/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29);;/q;2*+1/p-2/t12-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DICHLOROMETHOTREXATE SODIUM
Common Name English
GLUTAMIC ACID, N-(3,5-DICHLORO-4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, MONOSODIUM SALT, L-(+)-
Systematic Name English
L-GLUTAMIC ACID, N-(3,5-DICHLORO-4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
CAS
22198-99-8
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
PUBCHEM
137321705
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
FDA UNII
097IQ7AD9R
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY