Cloniprazepam

CAT: 0926-YED15884-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-YED15884-02Size:10 mg

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

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CAS Number

1998158-84-1

Smiles

C1CC1CN2C (=O) CN=C (C3=C2C=CC (=C3) [N+] (=O) [O-]) C4=CC=CC=C4Cl

Molecular Formula

C19H16ClN3O3

Molecular Weight

369.8 g/mol

Controlled

Yes

Chemical Information

Cloniprazepam

CAS Number	1998158-84-1
PubChem CID	137700140
IUPAC Name	5-(2-chlorophenyl)-1-(cyclopropylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one
Molecular Formula	C19H16ClN3O3
Molecular Weight	369.8
XLogP	3.2
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	601

SMILES

C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C19H16ClN3O3/c20-16-4-2-1-3-14(16)19-15-9-13(23(25)26)7-8-17(15)22(11-12-5-6-12)18(24)10-21-19/h1-4,7-9,12H,5-6,10-11H2

InChIKey

CCSYKGYLSFXNTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1998158-84-1

CID: 137700140

Formula: C19H16ClN3O3

MW: 369.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	369.0880191
Monoisotopic Mass	369.0880191
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	601
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
TRC-C587138-100MG	Cloniprazepam
TRC-KIT7685-1X1ML	Cloniprazepam (1.0 mg/mL in Methanol)