Cotarnine iodide

CAT: 0926-FC20563-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FC20563-02Size:2 mg

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CAS Number

30936-27-7

Synonyms

7,8-Dihydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolinium iodide

MDL Number

MFCD03819122

Smiles

C[N+]1=CC2=C (C3=C (C=C2CC1) OCO3) OC.[I-]

Molecular Formula

C12H14INO3

Molecular Weight

347.15 g/mol

Controlled

Chemical Information

Cotarnine iodide

CAS Number	30936-27-7
PubChem CID	14432812
IUPAC Name	4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
Molecular Formula	C12H14INO3
Molecular Weight	347.15
Topological Polar Surface Area	30.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	305

SMILES

C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[I-]

InChI

InChI=1S/C12H14NO3.HI/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5-6H,3-4,7H2,1-2H3;1H/q+1;/p-1

InChIKey

NBQXHDRCUOJFQO-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 30936-27-7

CID: 14432812

Formula: C12H14INO3

MW: 347.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	347.00184
Monoisotopic Mass	347.00184
Topological Polar Surface Area	30.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	305
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
XC160978-01	Cotarnine
FC20562-01	Cotarnine chloride
FE10638-01	Echothiopate iodide
FC37898-01	Calcium iodide
FT16184-01	Trimethylsulfoxonium iodide
FM63154-01	(+) -Magnoflorine iodide
FJ66094-01	Jatrorrhizine iodide
FI47007-01	Isopropyl iodide
AAA54166-01	Oxapropanium iodide
A-1050-01	Acetylcholine iodide

Catalog	Name
MBS6058432-01	Cotarnine Iodide
TRC-C717505-25MG	Cotarnine
C7904-45	Cotarnine Chloride
MA-0228	Iodide
056195-01	Cuprous Iodide for Synthesis (Copper (I) Iodide)
IN12525-01	Bis[ (tetrabutylammonium iodide) copper (I) iodide]
M19890-01	Isopropamide Iodide
M18267-01	Acetylcholine iodide
S08310-01	Stannic Iodide
E15415-01	Ethyltrimethylammonium iodide