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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34N10O6
Molecular Weight 582.6116
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methotrexate-lysine

SMILES

CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](N)C(O)=O)C(O)=O

InChI

InChIKey=CLZYYSADWQNCNF-ROUUACIJSA-N
InChI=1S/C26H34N10O6/c1-36(13-15-12-31-22-20(32-15)21(28)34-26(29)35-22)16-7-5-14(6-8-16)23(38)33-18(25(41)42)9-10-19(37)30-11-3-2-4-17(27)24(39)40/h5-8,12,17-18H,2-4,9-11,13,27H2,1H3,(H,30,37)(H,33,38)(H,39,40)(H,41,42)(H4,28,29,31,34,35)/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34N10O6
Molecular Weight 582.6116
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 20:17:18 GMT 2025
Edited
by admin
on Wed Apr 02 20:17:18 GMT 2025
Record UNII
K3L5H8SH4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methotrexate-lysine
Preferred Name English
Code System Code Type Description
FDA UNII
K3L5H8SH4F
Created by admin on Wed Apr 02 20:17:18 GMT 2025 , Edited by admin on Wed Apr 02 20:17:18 GMT 2025
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PUBCHEM
171390215
Created by admin on Wed Apr 02 20:17:18 GMT 2025 , Edited by admin on Wed Apr 02 20:17:18 GMT 2025
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