U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30N8O5
Molecular Weight 510.5456
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL METHOTREXATE

SMILES

CCOC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C2)N=C(N)N=C3N)C(=O)OCC

InChI

InChIKey=MZRRIAJJDAPQRO-KRWDZBQOSA-N
InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIETHYL METHOTREXATE
Common Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, DIETHYL ESTER
Systematic Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, 1,5-DIETHYL ESTER
Systematic Name English
METHOTREXATE DIETHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20195760
Created by admin on Sat Dec 16 10:41:26 GMT 2023 , Edited by admin on Sat Dec 16 10:41:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-127-9
Created by admin on Sat Dec 16 10:41:26 GMT 2023 , Edited by admin on Sat Dec 16 10:41:26 GMT 2023
PRIMARY
PUBCHEM
94528
Created by admin on Sat Dec 16 10:41:26 GMT 2023 , Edited by admin on Sat Dec 16 10:41:26 GMT 2023
PRIMARY
FDA UNII
JTM482599Z
Created by admin on Sat Dec 16 10:41:26 GMT 2023 , Edited by admin on Sat Dec 16 10:41:26 GMT 2023
PRIMARY
CAS
43170-88-3
Created by admin on Sat Dec 16 10:41:26 GMT 2023 , Edited by admin on Sat Dec 16 10:41:26 GMT 2023
PRIMARY