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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N8O5
Molecular Weight 482.4933
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL METHOTREXATE

SMILES

CN(Cc1cnc2c(c(N)[nH]c(=N)n2)n1)c3ccc(cc3)C(=O)N[C@@]([H])(CCC(=O)OC)C(=O)OC

InChI

InChIKey=DIQFVFAFHNQUTG-HNNXBMFYSA-N
InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26N8O5
Molecular Weight 482.4933
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 Sat Jun 26 14:16:52 UTC 2021
Edited
by admin
on Sat Jun 26 14:16:52 UTC 2021
Record UNII
069DRA2V4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL METHOTREXATE
Common Name English
METHOTREXATE DIMETHYL ESTER
Common Name English
METHOTREXATE IMPURITY J [EP]
Common Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, 1,5-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
118159
Created by admin on Sat Jun 26 14:16:53 UTC 2021 , Edited by admin on Sat Jun 26 14:16:53 UTC 2021
PRIMARY
FDA UNII
069DRA2V4U
Created by admin on Sat Jun 26 14:16:53 UTC 2021 , Edited by admin on Sat Jun 26 14:16:53 UTC 2021
PRIMARY
CAS
34378-65-9
Created by admin on Sat Jun 26 14:16:53 UTC 2021 , Edited by admin on Sat Jun 26 14:16:53 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
UNSPECIFIED
EP