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3-Methoxy-temazepam

CAT: 0572-TRC-M268550-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M268550-50MGSize:50 mg
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CAS Number
17191-70-7
Synonyms
7-Chloro-1,3-dihydro-3-methoxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one; Temazepam Imp. D (EP); (3RS)-7-chloro-3-methoxy-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COC1N=C(c2ccccc2)c3cc(Cl)ccc3N(C)C1=O
Molecular Formula
C17 H15 Cl N2 O2
Molecular Weight
314.77
InChI
InChI=1S/C17H15ClN2O2/c1-20-14-9-8-12(18)10-13(14)15(11-6-4-3-5-7-11)19-16(22-2)17(20)21/h3-10,16H,1-2H3
Additionnal Information
IUPAC name: 7-chloro-3-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

O-Methyl temazepam
CAS Number17191-70-7
PubChem CID623227
IUPAC Name7-chloro-3-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Molecular FormulaC17H15ClN2O2
Molecular Weight314.8
XLogP2.7
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c1-20-14-9-8-12(18)10-13(14)15(11-6-4-3-5-7-11)19-16(22-2)17(20)21/h3-10,16H,1-2H3
InChIKey
JVCZEDGTKACWMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Methyl temazepam
CAS: 17191-70-7
CID: 623227
Formula: C17H15ClN2O2
MW: 314.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.8
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass314.0822054
Monoisotopic Mass314.0822054
Topological Polar Surface Area41.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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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