Berberine hydrochloride

CAT: 1266-JH915703Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH915703Size:1 Each

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CAS Number

633-65-8

Molecular Formula

C20H18ClNO4

Molecular Weight

371.81

Chemical Information

Berberine chloride

Berberine chloride (TN) is an organic molecular entity.

CAS Number	633-65-8
PubChem CID	12456
IUPAC Name	16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
Molecular Formula	C20H18ClNO4
Molecular Weight	371.8
Topological Polar Surface Area	40.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	488

SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]

InChI

InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1

InChIKey

VKJGBAJNNALVAV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 633-65-8

CID: 12456

Formula: C20H18ClNO4

MW: 371.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	371.0924357
Monoisotopic Mass	371.0924357
Topological Polar Surface Area	40.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	488
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
MBS3605391-01	Berberine hydrochloride
371225	Berberine hydrochloride discontinued
TRC-B318152-1MG	Berberine Hydrochloride-d6