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3-(R)-3-Hydroxyprazepam

CAT: 0572-TRC-H952805-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H952805-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125299-89-0
Hazard Statement
No Data Available
Smiles
O[C@H]1N=C(c2ccccc2)c3cc(Cl)ccc3N(CC4CC4)C1=O
Molecular Formula
C19 H17 Cl N2 O2
Molecular Weight
340.803
InChI
InChI=1S/C19H17ClN2O2/c20-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)21-18(23)19(24)22(16)11-12-6-7-12/h1-5,8-10,12,18,23H,6-7,11H2/t18-/m1/s1
Additionnal Information
IUPAC name: (3R)-7-chloro-1-(cyclopropylmethyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Shipping Conditions
Room Temperature

Chemical Information

3-(R)-3-Hydroxyprazepam
CAS Number125299-89-0
PubChem CID124303142
IUPAC Name(3R)-7-chloro-1-(cyclopropylmethyl)-3-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Molecular FormulaC19H17ClN2O2
Molecular Weight340.8
XLogP2.9
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity513
SMILES
C1CC1CN2C3=C(C=C(C=C3)Cl)C(=N[C@@H](C2=O)O)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O2/c20-14-8-9-16-15(10-14)17(13-4-2-1-3-5-13)21-18(23)19(24)22(16)11-12-6-7-12/h1-5,8-10,12,18,23H,6-7,11H2/t18-/m1/s1
InChIKey
SYUMLTUHTWFDGE-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 3-(R)-3-Hydroxyprazepam
CAS: 125299-89-0
CID: 124303142
Formula: C19H17ClN2O2
MW: 340.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass340.0978555
Monoisotopic Mass340.0978555
Topological Polar Surface Area52.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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