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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23N5O3
Molecular Weight 369.4176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETREXATE

SMILES

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

InChI

InChIKey=NOYPYLRCIDNJJB-UHFFFAOYSA-N
InChI=1S/C19H23N5O3/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/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)

HIDE SMILES / InChI
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:10 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:10 UTC 2023
Record UNII
UPN4ITI8T4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETREXATE
HSDB   INN   MI   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
Trimetrexate [WHO-DD]
Common Name English
TRIMETREXATE [USAN]
Common Name English
2,4-Diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline
Systematic Name English
2,4-QUINAZOLINEDIAMINE, 5-METHYL-6-(((3,4,5-TRIMETHOXYPHENYL)AMINO)METHYL)-
Systematic Name English
TRIMETREXATE [HSDB]
Common Name English
TRIMETREXATE [VANDF]
Common Name English
NSC-249008
Code English
TRIMETREXATE [MI]
Common Name English
trimetrexate [INN]
Common Name English
Classification Tree Code System Code
WHO-ATC P01AX07
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
LIVERTOX NBK548765
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
FDA ORPHAN DRUG 132299
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
NCI_THESAURUS C2153
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
NCI_THESAURUS C511
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
Code System Code Type Description
EVMPD
SUB11312MIG
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
INN
5103
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
NCI_THESAURUS
C1314
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
HSDB
6545
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
CAS
52128-35-5
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
RXCUI
42333
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY RxNorm
MESH
D016597
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
SMS_ID
100000076926
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
DAILYMED
UPN4ITI8T4
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
IUPHAR
7613
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
PUBCHEM
5583
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
DRUG BANK
DB01157
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL119
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
MERCK INDEX
m11163
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY Merck Index
NSC
249008
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID3023714
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
DRUG CENTRAL
2757
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
WIKIPEDIA
TRIMETREXATE
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
FDA UNII
UPN4ITI8T4
Created by admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
PRIMARY
Related Record Type Details
DIHYDROFOLATE REDUCTASE
TARGET -> INHIBITOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of TRIMETREXATE GLUCURONATE
SALT/SOLVATE -> PARENT
Structure of TRIMETREXATE MONOACETATE MONOHYDRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of TRIMETREXATE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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