Basic information
- CAS
77-66-7- Standard SMILES
CCC(Br)(CC)C(=O)NC(=O)NC(C)=O- InChIKey
SAZUGELZHZOXHB-UHFFFAOYSA-N- Molecular formula
- C9H15BrN2O3
- Average molar mass
- 279.13 g/mol
- Monoisotopic mass
- 278.0266
Overview
Acecarbromal is a N-acylurea.
Names & identifiers
- Preferred name
- Acecarbromal
- IUPAC
- N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
- English name
- acetyl carbromal
- Molecular formula
- C9H15BrN2O3
- Molecular weight
- 279.13
Names & synonyms
AcecarbromalAcetylcarbromal77-66-7PaxarelAbasinSedamylAcecarbromalumN-Acetyl-N-bromodiethylacetylurea1-Acetyl-3-(2-bromo-2-ethylbutyryl)ureaE47C56IGOYButanamide, N-((acetylamino)carbonyl)-2-bromo-2-ethyl-Butanamide, N-[(acetylamino)carbonyl]-2-bromo-2-ethyl-
Show more names
AbsinAditylSedtranDarolonIbatranPaxerel
1-Acetyl-3-(alpha-bromo-alpha-ethylbutyryl)ureaDTXSID9058810acetylcarbobromalRefChem:570717DTXCID7047936201-047-1AcetylbromodiethylacetylcarbamideAcetcarbromal
Database identifiers
- CAS
77-66-7- PubChem CID
- 6489
- DTXSID
DTXSID9058810- ChEMBL
CHEMBL2104673- ChEBI
CHEBI:135155- UNII
- E47C56IGOY
- EC Number
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 108 · 108-109°
- Density
- 1.5941 · 1.5941 (rough estimate)
- refractive index
- 1.519 · 1.5190 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 47 C56IGOY · E47C56IGOY
- EPA Substance Registry System
- -2 · Butanamide, N-[(acetylamino)carbonyl]-2-bromo-2-ethyl- (77-66-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Uses & manufacturing
General Manufacturing InformationButanamide, N-[(acetylamino)carbonyl]-2-bromo-2-ethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers10 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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