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Details

Stereochemistry ACHIRAL
Molecular Formula C14H9NO4
Molecular Weight 255.2256
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALRESTATIN

SMILES

OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23

InChI

InChIKey=GCUCIFQCGJIRNT-UHFFFAOYSA-N
InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C14H9NO4
Molecular Weight 255.2256
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 16:02:25 UTC 2023
Edited
by admin
on Fri Dec 15 16:02:25 UTC 2023
Record UNII
515DHK15LG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALRESTATIN
INN   WHO-DD  
INN  
Official Name English
NSC-299132
Code English
Alrestatin [WHO-DD]
Common Name English
alrestatin [INN]
Common Name English
1,3-DIOXO-1H-BENZ(DE)ISOQUINOLINE-2(3H)-ACETATE
Systematic Name English
1H-BENZ(DE)ISOQUINOLINE-2(3H)ACETIC ACID, 1,3-DIOXO-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C72880
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
Code System Code Type Description
WIKIPEDIA
ALRESTATIN
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
PUBCHEM
2120
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL63055
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
FDA UNII
515DHK15LG
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
EVMPD
SUB05373MIG
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
DRUG BANK
DB02020
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID7045655
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
NCI_THESAURUS
C72917
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
NSC
299132
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
INN
3816
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
CAS
51411-04-2
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
SMS_ID
100000087473
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
MESH
C016212
Created by admin on Fri Dec 15 16:02:25 UTC 2023 , Edited by admin on Fri Dec 15 16:02:25 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY