Brofoxine

HCID 30630CAS 21440-97-1

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)OC(=O)Nc2ccc(Br)cc21
InChIKey: JRXGULDSFFLUAO-UHFFFAOYSA-N
Molecular formula: C10H10BrNO2
Average molar mass: 256.1 g/mol
Monoisotopic mass: 254.98949066

Overview

Brofoxine is a small molecule drug. Brofoxine has a monoisotopic molecular weight of 254.99 Da.

Names & identifiers

Preferred name: Brofoxine
IUPAC: 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
English name: BROFOXINE
Molecular formula: C10H10BrNO2
Molecular weight: 256.1

Names & synonyms

Brofoxine21440-97-1Brofoxina6-Bromo-1,4-dihydro-4,4-dimethyl-2H-3,1-benzoxazin-2-one2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-4,4-dimethyl-BrofoxinumDTXSID4057685FI-6820F.I. 68206P1O8U403TF.I.-6820DTXCID5031474

Show more names

F.I.68204,4-Dimethyl-6-bromo-1,3-benzoxazine-2-one4h-4-dimethyl-6-bromo-3,1-benzoxazine-2-one6-Bromo-4,4-dimethyl-4H-3,1-benzoxazin-2(1H)-one6-bromo-1,4-dihydro-4,4-dimethyl-2h-1-benzoxazin-2-one1,2-dihydro-6-bromo-4,4-dimethyl-4h-1-benzoxazin-2-one

RefChem:570244244-389-76-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one6-BROMO-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONEMFCD00866701Dimethabrone6-bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

Database identifiers

CAS: 21440-97-1
PubChem CID: 30630
DTXSID: DTXSID4057685
ChEMBL: CHEMBL2106168
UNII: 6P1O8U403T
EC Number: 244-389-7
Nikkaji: J10.783B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 255

Physicochemical properties

storage temp.: 2 · 2-8°C
CAS DataBase Reference: 21440 · 21440-97-1(CAS DataBase Reference)
FDA UNII: 6 P1O8U403T · 6P1O8U403T
Symbol(GHS): 8 · GHS08,GHS07
Signal word: Warning
Hazard statements: 361 · H361-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501
Hazard Codes: Xi
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS08,GHS07
hazard_code: Xi
Hazard statements: H361-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501