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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31N9O6S
Molecular Weight 585.635
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methotrexate-methionine

SMILES

CSCC[C@H](NC(=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)=O)C(O)=O

InChI

InChIKey=CLUZMYGZXYTICG-IRXDYDNUSA-N
InChI=1S/C25H31N9O6S/c1-34(12-14-11-28-21-19(29-14)20(26)32-25(27)33-21)15-5-3-13(4-6-15)22(36)31-16(23(37)38)7-8-18(35)30-17(24(39)40)9-10-41-2/h3-6,11,16-17H,7-10,12H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)(H,39,40)(H4,26,27,28,32,33)/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H31N9O6S
Molecular Weight 585.635
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:08:43 GMT 2025
Edited
by admin
on Wed Apr 02 20:08:43 GMT 2025
Record UNII
Z4JL6B6T7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methotrexate-methionine
Preferred Name English
Code System Code Type Description
PUBCHEM
171390212
Created by admin on Wed Apr 02 20:08:43 GMT 2025 , Edited by admin on Wed Apr 02 20:08:43 GMT 2025
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FDA UNII
Z4JL6B6T7U
Created by admin on Wed Apr 02 20:08:43 GMT 2025 , Edited by admin on Wed Apr 02 20:08:43 GMT 2025
PRIMARY