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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23N5O3.C2H4O2
Molecular Weight 429.4696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETREXATE MONOACETATE

SMILES

CC(O)=O.COC1=CC(NCC2=C(C)C3=C(N)N=C(N)N=C3C=C2)=CC(OC)=C1OC

InChI

InChIKey=LZAHAWHPLGBAQD-UHFFFAOYSA-N
InChI=1S/C19H23N5O3.C2H4O2/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2(3)4/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23N5O3
Molecular Weight 369.4176
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:40 UTC 2023
Record UNII
C9OWX5QCIR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETREXATE MONOACETATE
Common Name English
TRIMETREXATE ACETATE
Common Name English
2,4-QUINAZOLINEDIAMINE, 5-METHYL-6-(((3,4,5-TRIMETHOXYPHENYL)AMINO)METHYL)-, MONOACETATE
Systematic Name English
TRIMETREXATE MONOACETATE ANHYDROUS
Common Name English
2,4-QUINAZOLINEDIAMINE, 5-METHYL-6-(((3,4,5-TRIMETHOXYPHENYL)AMINO)METHYL)-, ACETATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
52128-36-6
Created by admin on Fri Dec 15 15:37:40 UTC 2023 , Edited by admin on Fri Dec 15 15:37:40 UTC 2023
PRIMARY
FDA UNII
C9OWX5QCIR
Created by admin on Fri Dec 15 15:37:40 UTC 2023 , Edited by admin on Fri Dec 15 15:37:40 UTC 2023
PRIMARY
PUBCHEM
21186984
Created by admin on Fri Dec 15 15:37:40 UTC 2023 , Edited by admin on Fri Dec 15 15:37:40 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS