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Details

Stereochemistry UNKNOWN
Molecular Formula C22H25N7O5
Molecular Weight 467.4778
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDATREXATE

SMILES

CCC(CC1=NC2=C(N=C1)N=C(N)N=C2N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=FSIRXIHZBIXHKT-MHTVFEQDSA-N
InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25N7O5
Molecular Weight 467.4778
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:05:07 UTC 2023
Edited
by admin
on Sat Dec 16 16:05:07 UTC 2023
Record UNII
JT4X6Z1HRR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDATREXATE
INN   MART.   MI   USAN  
INN   USAN  
Official Name English
EDATREXATE [MI]
Common Name English
NSC-626715
Code English
EDATREXATE [USAN]
Common Name English
EDATREXATE [MART.]
Common Name English
CGP 30694
Code English
edatrexate [INN]
Common Name English
TCMDC-137768
Code English
L-GLUTAMIC ACID, N-(4-(1-((2,4-DIAMINO-6-PTERIDINYL)METHYL)PROPYL)BENZOYL)-
Common Name English
Edatrexate [WHO-DD]
Common Name English
GNF-PF-63
Code English
CGP-30694
Code English
Classification Tree Code System Code
NCI_THESAURUS C511
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
NCI_THESAURUS C2153
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
Code System Code Type Description
DRUG CENTRAL
986
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
MERCK INDEX
m4824
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL296373
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
EVMPD
SUB06454MIG
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
PUBCHEM
6917908
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
CAS
80576-83-6
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
SMS_ID
100000080509
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID901318475
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
INN
6471
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
NSC
626715
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
USAN
CC-35
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
FDA UNII
JT4X6Z1HRR
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
NCI_THESAURUS
C958
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
MESH
C040210
Created by admin on Sat Dec 16 16:05:08 UTC 2023 , Edited by admin on Sat Dec 16 16:05:08 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TRANSPORTER -> SUBSTRATE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY