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(-)-Bremazocine Hydrochloride

CAT: 0572-TRC-B677350-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B677350-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74100-60-0
Hazard Statement
No Data Available
Smiles
Cl.CC[C@]12CCN(CC3(O)CC3)C(Cc4ccc(O)cc14)C2(C)C
Molecular Formula
C20 H29 N O2 . H Cl
Molecular Weight
351.911
InChI
InChI=1S/C20H29NO2.ClH/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20;/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3;1H/t17?,20-;/m0./s1
Additionnal Information
IUPAC name: (1S)-1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

(-)-Bremazocine hydrochloride
CAS Number74100-60-0
PubChem CID53299312
IUPAC Name(1S,9R)-1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Molecular FormulaC20H30ClNO2
Molecular Weight351.9
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity472
SMILES
CC[C@@]12CCN([C@@H](C1(C)C)CC3=C2C=C(C=C3)O)CC4(CC4)O.Cl
InChI
InChI=1S/C20H29NO2.ClH/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20;/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3;1H/t17-,20+;/m1./s1
InChIKey
JNTDEEXUEKTYKU-XLCHORMMSA-N
Chemical Structure
2D Structure
2D structure of (-)-Bremazocine hydrochloride
CAS: 74100-60-0
CID: 53299312
Formula: C20H30ClNO2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass351.1965069
Monoisotopic Mass351.1965069
Topological Polar Surface Area43.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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