Nitrazolam

CAT: 0926-DBA91099-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-DBA91099-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

28910-99-8

MDL Number

MFCD18429264

Smiles

CC1=NN=C2N1C3=C (C=C (C=C3) [N+] (=O) [O-]) C (=NC2) C4=CC=CC=C4

Molecular Formula

C17H13N5O2

Molecular Weight

319.32 g/mol

Controlled

Yes

Chemical Information

Nitrazolam

CAS Number	28910-99-8
PubChem CID	20317278
IUPAC Name	1-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular Formula	C17H13N5O2
Molecular Weight	319.32
XLogP	1.3
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	514

SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C17H13N5O2/c1-11-19-20-16-10-18-17(12-5-3-2-4-6-12)14-9-13(22(23)24)7-8-15(14)21(11)16/h2-9H,10H2,1H3

InChIKey

OYRPNABWTHDOFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28910-99-8

CID: 20317278

Formula: C17H13N5O2

MW: 319.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.32
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	319.10692467
Monoisotopic Mass	319.10692467
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	514
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T203627-01	Nitrazolam
TRC-KIT7695-1X1ML	Nitrazolam (1.0 mg/mL in Methanol)