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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N8O5
Molecular Weight 482.4924
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL METHOTREXATE

SMILES

COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N)N=C(N)N=C3N=C2)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 482.4924
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 Dec 16 08:24:27 UTC 2023
Edited
by admin
on Sat Dec 16 08:24:27 UTC 2023
Record UNII
069DRA2V4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL METHOTREXATE
Common Name English
METHOTREXATE IMPURITY J [EP IMPURITY]
Common Name English
METHOTREXATE DIMETHYL ESTER
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
EPA CompTox
DTXSID60955926
Created by admin on Sat Dec 16 08:24:27 UTC 2023 , Edited by admin on Sat Dec 16 08:24:27 UTC 2023
PRIMARY
PUBCHEM
118159
Created by admin on Sat Dec 16 08:24:27 UTC 2023 , Edited by admin on Sat Dec 16 08:24:27 UTC 2023
PRIMARY
FDA UNII
069DRA2V4U
Created by admin on Sat Dec 16 08:24:27 UTC 2023 , Edited by admin on Sat Dec 16 08:24:27 UTC 2023
PRIMARY
CAS
34378-65-9
Created by admin on Sat Dec 16 08:24:27 UTC 2023 , Edited by admin on Sat Dec 16 08:24:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
UNSPECIFIED
EP