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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO2
Molecular Weight 191.2264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ISOPROPYL-4-FORMYLBENZAMIDE

SMILES

CC(C)NC(=O)C1=CC=C(C=O)C=C1

InChI

InChIKey=OMFHZDXZIJJKFP-UHFFFAOYSA-N
InChI=1S/C11H13NO2/c1-8(2)12-11(14)10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)

HIDE SMILES / InChI

Molecular Formula C11H13NO2
Molecular Weight 191.2264
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: O94788|||Q9UFY0
Gene ID: 8854.0
Gene Symbol: ALDH1A2
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:17:59 UTC 2023
Edited
by admin
on Sat Dec 16 12:17:59 UTC 2023
Record UNII
2NMQ4M6QG3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ISOPROPYL-4-FORMYLBENZAMIDE
Systematic Name English
TEREPHTHALALDEHYDAMIDE, N-ISOPROPYL-
Systematic Name English
BENZAMIDE, 4-FORMYL-N-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
2NMQ4M6QG3
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
CAS
13255-50-0
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID9057636
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
PUBCHEM
83270
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
ECHA (EC/EINECS)
236-247-8
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
RS_ITEM_NUM
1565010
Created by admin on Sat Dec 16 12:17:59 UTC 2023 , Edited by admin on Sat Dec 16 12:17:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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