Diethyl methotrexate

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 Search

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

Molecular Formula	C24H30N8O5
Molecular Weight	510.5456
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:23:37 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:37 GMT 2025`
Record UNII	JTM482599Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diethyl methotrexate

Common Name

English

METHOTREXATE DIETHYL ESTER

Preferred 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

Code System Code Type Description

SMS_ID

300000053224