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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10N2O5
Molecular Weight 238.1968
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SINITRODIL

SMILES

[O-][N+](=O)OCCN1COC2=CC=CC=C2C1=O

InChI

InChIKey=POVFCWQCRHXYAB-UHFFFAOYSA-N
InChI=1S/C10H10N2O5/c13-10-8-3-1-2-4-9(8)16-7-11(10)5-6-17-12(14)15/h1-4H,5-7H2

HIDE SMILES / InChI

Molecular Formula C10H10N2O5
Molecular Weight 238.1968
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 16:01:32 UTC 2023
Edited
by admin
on Fri Dec 15 16:01:32 UTC 2023
Record UNII
Y3FJ2C4H75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SINITRODIL
INN  
INN  
Official Name English
sinitrodil [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C270
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
Code System Code Type Description
FDA UNII
Y3FJ2C4H75
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
PUBCHEM
121985
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL27129
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID10162365
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
SMS_ID
100000083518
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
CAS
143248-63-9
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
EVMPD
SUB10533MIG
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
INN
7462
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
NCI_THESAURUS
C72979
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
MESH
C091726
Created by admin on Fri Dec 15 16:01:32 UTC 2023 , Edited by admin on Fri Dec 15 16:01:32 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY