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R(+)-SKF-81297 Hydrobromide

CAT: 0572-TRC-R700955-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R700955-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
253446-15-0
Synonyms
R(+)-SKF-81297 Hydrobromide
Hazard Statement
No Data Available
Smiles
Br.Oc1cc2[C@H](CNCCc2c(Cl)c1O)c3ccccc3
Molecular Formula
C16 H16 Cl N O2 . Br H
Molecular Weight
370.669
InChI
InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H/t13-;/m1./s1
Additionnal Information
IUPAC name: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Shipping Conditions
Room Temperature

Chemical Information

R(+)-SKF-81297 hydrobromide
CAS Number253446-15-0
PubChem CID16219952
IUPAC Name(5R)-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Molecular FormulaC16H17BrClNO2
Molecular Weight370.7
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity322
SMILES
C1CNC[C@@H](C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.Br
InChI
InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H/t13-;/m1./s1
InChIKey
RMIJGBMRNYUZRG-BTQNPOSSSA-N
Chemical Structure
2D Structure
2D structure of R(+)-SKF-81297 hydrobromide
CAS: 253446-15-0
CID: 16219952
Formula: C16H17BrClNO2
MW: 370.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass369.01312
Monoisotopic Mass369.01312
Topological Polar Surface Area52.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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