METHOTREXATE, (±)-

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H22N8O5
Molecular Weight	454.4393
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O

InChI

InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N

InChI=1S/C20H22N8O5/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)

HIDE SMILES / InChI

Molecular Formula	C20H22N8O5
Molecular Weight	454.4393
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:18:31 UTC 2023` Edited by `admin` on `Sat Dec 16 02:18:31 UTC 2023`
Record UNII	99ITO15X8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHOTREXATE, (±)-

Common Name

English

DL-METHOTREXATE

Common Name

English

DL-AMETHOPTERIN

Common Name

English

DL-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-

Systematic Name

English

NSC-757113

Code

English

NSC-117356

Code

English

N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)GLUTAMIC ACID

Systematic Name

English

(±)-METHOTREXATE

Common Name

English

GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

4112