Palmatrubine Chloride

CAT: 1596-AR-B06932-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06932-01Size:10 Units

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CAS Number

16705-04-7

Synonyms

9-hydroxy-2,3,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium, chloride (1:1)

Molecular Formula

C20H20NO4. Cl

Molecular Weight

338.39 35.45

API Name

Berberine

Chemical Information

Palmatrubine

ALT001 is an organic molecular entity.

CAS Number	16705-04-7
PubChem CID	10547385
IUPAC Name	2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol chloride
Molecular Formula	C20H20ClNO4
Molecular Weight	373.8
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	461

SMILES

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

InChI

InChI=1S/C20H19NO4.ClH/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22;/h4-5,8-11H,6-7H2,1-3H3;1H

InChIKey

DFUDAUWKWTTXFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16705-04-7

CID: 10547385

Formula: C20H20ClNO4

MW: 373.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	373.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	373.1080858
Monoisotopic Mass	373.1080858
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	461
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

Catalog	Name
AR-M04946-01	Mivacurium Chloride Impurity 4 Chloride
AR-M04944-01	Mivacurium Chloride Impurity 2 Chloride
AR-M04945-01	Mivacurium Chloride Impurity 3 Chloride
AR-M04968-01	Mivacurium Chloride Impurity 1 Chloride
AR-V01052-01	4-Chlorovaleroyl Chloride (4-Chloropentanoyl Chloride)
AR-L06799-01	Methallyl chloride
AR-I01193-01	Methanesulfonyl Chloride
AR-D07649-01	DOTAP Chloride
AR-D01401-01	Dequalinium Chloride
AR-C07491-01	Fluoroethylcholine Chloride

Catalog	Name
MBS5750336	Palmatrubine
271348-01	Dehydro palmatrubine bromide
189775-01	Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01	TMA chloride-d12 (chloride)
3125490	Tin chloride (stannous chloride)
3121645	Cobalt chloride (Cobaltous chloride)
3125225	Stannous chloride (tin chloride)
3123430	Manganous chloride (Manganese chloride)
53473813-100g	Hexadecyltrimethylammonium chloride (Cetyltrimethylammonium chloride)
3121825	Cupric chloride (Copper chloride)