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7-Bromo Epinastine

CAT: 0572-TRC-B684225-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684225-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217052-16-8
Synonyms
1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 7-bromo-9,13b-dihydro-; (13bRS)-7-Bromo-9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine; 7-Bromo Epinastine; 7-Bromoepinastine
Hazard Statement
No Data Available
Smiles
NC1=NCC2N1c3ccc(Br)cc3Cc4ccccc24
Molecular Formula
C16 H14 Br N3
Molecular Weight
328.207
InChI
InChI=1S/C16H14BrN3/c17-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15-9-19-16(18)20(14)15/h1-6,8,15H,7,9H2,(H2,18,19)
Shipping Conditions
Room Temperature

Chemical Information

7-Bromo Epinastine
CAS Number1217052-16-8
PubChem CID71306711
IUPAC Name16-bromo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,7,9,11,15,17-heptaen-3-amine
Molecular FormulaC16H14BrN3
Molecular Weight328.21
XLogP4.2
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity411
SMILES
C1C2C3=CC=CC=C3CC4=C(N2C(=N1)N)C=CC(=C4)Br
InChI
InChI=1S/C16H14BrN3/c17-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15-9-19-16(18)20(14)15/h1-6,8,15H,7,9H2,(H2,18,19)
InChIKey
HQFMNGNBQOQKRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo Epinastine
CAS: 1217052-16-8
CID: 71306711
Formula: C16H14BrN3
MW: 328.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.21
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass327.03711
Monoisotopic Mass327.03711
Topological Polar Surface Area41.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-E01489-017-Bromo Epinastine (Impurity B) HBr
RM-E160933-01Epinastine Impurity 7
AR-E01594-017-Chloro Epinastine Hydrochloride
AR-E10029-01Epinastine Impurity 7 HCl
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