Berberrubine

CAT: 0931-TN8601-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN8601-02Size:50 mg

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CAS Number

17388-19-1

Bioactivity

Berberrubine is a natural product that can be used in related research in the field of life sciences. Its product number is TN8601.

Smiles

OC1=C(OC)C=CC2=CC=3C4=CC=5OCOC5C=C4CC[N+]3C=C12

Molecular Formula

C19H16NO4+

Molecular Weight

322.3

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Berberrubine

Berberrubine has been reported in Fibraurea chloroleuca, Berberis iliensis, and other organisms with data available.

CAS Number	17388-19-1
PubChem CID	72704
IUPAC Name	17-methoxy-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-octaen-16-ol
Molecular Formula	C19H16NO4+
Molecular Weight	322.3
XLogP	3.3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	1
Complexity	474

SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O

InChI

InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3/p+1

InChIKey

GLYPKDKODVRYGP-UHFFFAOYSA-O

Chemical Structure

2D Structure

CAS: 17388-19-1

CID: 72704

Formula: C19H16NO4+

MW: 322.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.3
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	322.10793299
Monoisotopic Mass	322.10793299
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	24
Formal Charge	1
Complexity	474
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
GTR19159581-01	Berberrubine
MBS387077-01	Berberrubine chloride
HY-125850-01	Berberrubine (chloride)
271311-01	Dehydro berberrubine bromide
A12224-25	Berberrubine chloride 25mg
HY-125850R-01	Berberrubine (chloride) (Standard)
A12224-10	Berberrubine chloride 10mg