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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 of Methotrexate Dimethylamide

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

Approval Year

Name Type Language
Methotrexate Dimethylamide
Common 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
NSC-281286
Code English
Code System Code Type Description
PUBCHEM
100284
Created by admin on Sat Dec 16 19:52:01 GMT 2023 , Edited by admin on Sat Dec 16 19:52:01 GMT 2023
PRIMARY
CAS
71074-44-7
Created by admin on Sat Dec 16 19:52:01 GMT 2023 , Edited by admin on Sat Dec 16 19:52:01 GMT 2023
PRIMARY
FDA UNII
UC96GAK6XY
Created by admin on Sat Dec 16 19:52:01 GMT 2023 , Edited by admin on Sat Dec 16 19:52:01 GMT 2023
PRIMARY