SKF-82958 hydrobromide 100mg

CAT: 0628-A21763-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A21763-100Size:100 mg

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CAS Number

74115-01-8

Chemical Information

SKF-82958 (hydrobromide)

CAS Number	74115-01-8
PubChem CID	9909521
IUPAC Name	9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
Molecular Formula	C19H21BrClNO2
Molecular Weight	410.7
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	399

SMILES

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.Br

InChI

InChI=1S/C19H20ClNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H

InChIKey

WLXGFAVTAAQOFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74115-01-8

CID: 9909521

Formula: C19H21BrClNO2

MW: 410.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	409.04442
Monoisotopic Mass	409.04442
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	399
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes