Methotrexate Dimethylamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27N9O4
Molecular Weight	481.5077
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C(=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)=O

InChI

InChIKey=BHFZGVOUGIGQGR-HNNXBMFYSA-N

InChI=1S/C22H27N9O4/c1-30(2)16(32)9-8-15(21(34)35)27-20(33)12-4-6-14(7-5-12)31(3)11-13-10-25-19-17(26-13)18(23)28-22(24)29-19/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,33)(H,34,35)(H4,23,24,25,28,29)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H27N9O4
Molecular Weight	481.5077
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 `Wed Apr 02 17:30:28 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:28 GMT 2025`
Record UNII	UC96GAK6XY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methotrexate Dimethylamide

Common Name

English

NSC-281286

Preferred Name

English

N<sup>2</sup>-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-L-glutamine

Systematic Name

English

L-Glutamine, N<sup>2</sup>-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-

Systematic Name

English

(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

100284

Created by admin on Wed Apr 02 17:30:29 GMT 2025 , Edited by admin on Wed Apr 02 17:30:29 GMT 2025

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CAS

71074-44-7

Created by admin on Wed Apr 02 17:30:29 GMT 2025 , Edited by admin on Wed Apr 02 17:30:29 GMT 2025

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FDA UNII

UC96GAK6XY

Created by admin on Wed Apr 02 17:30:29 GMT 2025 , Edited by admin on Wed Apr 02 17:30:29 GMT 2025

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