Worenine chloride

CAT: 0926-NBA76354-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NBA76354-01Size:10 mg

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CAS Number

38763-54-1

MDL Number

MFCD28009965

Smiles

CC1=C2C3=CC4=C (C=C3CC[N+]2=CC5=CC6=C (C=C15) OCO6) OCO4.[Cl-]

Molecular Formula

C20H16ClNO4

Molecular Weight

369.8 g/mol

Controlled

Chemical Information

Worenine chloride

CAS Number	38763-54-1
PubChem CID	67027495
IUPAC Name	24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene chloride
Molecular Formula	C20H16ClNO4
Molecular Weight	369.8
Topological Polar Surface Area	40.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	530

SMILES

CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4.[Cl-]

InChI

InChI=1S/C20H16NO4.ClH/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21;/h4-8H,2-3,9-10H2,1H3;1H/q+1;/p-1

InChIKey

NGZVWSRJFCTIMV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 38763-54-1

CID: 67027495

Formula: C20H16ClNO4

MW: 369.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	369.0767857
Monoisotopic Mass	369.0767857
Topological Polar Surface Area	40.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	530
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
FW74136-01	Worenine
NBA76355-01	Worenine iodide
FD65524-01	Diosmetinidin chloride
FD61260-01	Dimethylthiocarbamoyl chloride
FD33717-01	Decanoyl chloride
FC71316-01	Cinnamoyl chloride
FC52987-01	Cyclopropanesulfonyl chloride
FC161212-01	Cyclobutanesulfonyl chloride
FBA04485-01	Chelirubine chloride
FB74002-01	Berberrubine chloride

Catalog	Name
GTR19154113	Worenine chloride
TBZ2285	Worenine
TRC-W499370-25MG	Worenine Iodide
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)