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7-Chloro-N-methyl-5-(2H5)phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
[CAS# 65891-81-8]

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Identification
Name 7-Chloro-N-methyl-5-(2H5)phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
Synonyms Chlordiazepoxide-D5; Chlordiazepoxide-d5 (phenyl-d5)
Molecular Structure CAS#: 65891-81-8, 7-Chloro-N-methyl-5-(<sup>2</sup>H<sub>5</sub>)phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
Molecular Formula C16H9D5ClN3O
Molecular Weight 304.79
CAS Registry Number 65891-81-8
SMILES [2H]c1c(c(c(c(c1[2H])[2H])C2=[N+](CC(=Nc3c2cc(cc3)Cl)NC)[O-])[2H])[2H]
InChI 1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)/i2D,3D,4D,5D,6D
InChIKey ANTSCNMPPGJYLG-VIQYUKPQSA-N
Properties
Density 1.322g/cm3 (Cal.)
Boiling point 549.041°C at 760 mmHg (Cal.)
Flash point 285.85°C (Cal.)
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