Summary

IMPPAT Phytochemical identifier: IMPHY013744

Phytochemical name: Carbromal

Synonymous chemical names:
diacid

External chemical identifiers:
CID:6488, ChEMBL:CHEMBL1697828, ChEBI:134961, ZINC:ZINC000000001093, FDASRS:0Y299JY9V3, SureChEMBL:SCHEMBL261

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Chemical structure information

SMILES:
CCC(C(=O)NC(=O)N)(CC)Br

InChI:
InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)

InChIKey:
OPNPQXLQERQBBV-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)NC=O)N))))CC))Br

Functional groups:
CBr, CC(=O)NC(N)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic carbonic acids and derivatives

ClassyFire Subclass: Ureas

NP-Likeness score: -0.536

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Chemical structure download