Clopipazan

CAT: 0127-BUP08126-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08126-02Size:10 mg

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

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CAS Number

60085-78-1

Purity

=98%

Smiles

ClC=1C=C2C(C=3C(OC2=CC1)=CC=CC3)=C4CCN(C)CC4

Chemical Information

Clopipazan

Clopipazan is a small molecule drug. Clopipazan has a monoisotopic molecular weight of 311.11 Da.

CAS Number	60085-78-1
PubChem CID	43215
IUPAC Name	4-(2-chloroxanthen-9-ylidene)-1-methylpiperidine
Molecular Formula	C19H18ClNO
Molecular Weight	311.8
XLogP	4
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	439

SMILES

CN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1

InChI

InChI=1S/C19H18ClNO/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3

InChIKey

QUXRAOQDUJFWIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60085-78-1

CID: 43215

Formula: C19H18ClNO

MW: 311.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.8
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	311.1076919
Monoisotopic Mass	311.1076919
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	439
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
MBS5810599	Clopipazan