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Temazepam-d5 solution

CAT: 0926-LFA76551-03Size: 50 mLDry Ice: NoHazardous: No
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CAT#:0926-LFA76551-03Size:50 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136765-51-0
MDL Number
MFCD00673311
Smiles
[2H]C1=C (C (=C (C (=C1[2H]) [2H]) C2=NC (C (=O) N (C3=C2C=C (C=C3) Cl) C) O) [2H]) [2H]
Molecular Formula
C16D5H8ClN2O2
Molecular Weight
305.77 g/mol
Controlled
Yes

Chemical Information

2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-(phenyl-d5)-

Temazepam-d5 is a benzodiazepine.

CAS Number136765-51-0
PubChem CID76973559
IUPAC Name7-chloro-3-hydroxy-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one
Molecular FormulaC16H13ClN2O2
Molecular Weight305.77
XLogP2.2
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity434
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)C)O)[2H])[2H]
InChI
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3/i2D,3D,4D,5D,6D
InChIKey
SEQDDYPDSLOBDC-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-(phenyl-d5)-
CAS: 136765-51-0
CID: 76973559
Formula: C16H13ClN2O2
MW: 305.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.77
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass305.0979391
Monoisotopic Mass305.0979391
Topological Polar Surface Area52.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity434
Isotope Atom Count5
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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