Cuscohygrine dinitrate

CAT: 0926-XC182628-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-XC182628-02Size:10 mg

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CAS Number

13214-99-8

Smiles

CN1CCC[C@H]1CC (=O) C[C@H]2CCCN2C.ON (=O) =O.ON (=O) =O

Molecular Formula

C13H24N2O.2HNO3

Molecular Weight

350.37 g/mol

Controlled

Yes

Chemical Information

Cuscohygrine dinitrate

CAS Number	13214-99-8
PubChem CID	172643070
IUPAC Name	1-[(2S)-1-methylpyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one;bis(nitric acid)
Molecular Formula	C13H26N4O7
Molecular Weight	350.37
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	255

SMILES

CN1CCC[C@@H]1CC(=O)C[C@@H]2CCCN2C.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

InChI

InChI=1S/C13H24N2O.2HNO3/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2;2*2-1(3)4/h11-12H,3-10H2,1-2H3;2*(H,2,3,4)/t11-,12+;;

InChIKey

BGNMEBYDQZGBQX-FYPKGCJUSA-N

Chemical Structure

2D Structure

CAS: 13214-99-8

CID: 172643070

Formula: C13H26N4O7

MW: 350.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.37
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	350.18014918
Monoisotopic Mass	350.18014918
Topological Polar Surface Area	156 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
MI09907-01	Isosorbide dinitrate - 60% lactose and 40% Isosorbide dinitrate
FM171049-01	Metformin EP Impurity B Dinitrate

Catalog	Name
RM-C211900-01	Cuscohygrine
sc-396162	Cuscohygrine-d6
TRC-C845000-10MG	Cuscohygrine (Mixture of Diastereomers)
TRC-I821335-1G	Isomannide Dinitrate
MBS3842398-01	Isosorbide dinitrate
TRC-C845002-10MG	Cuscohygrine-d6 (Mixture of Diastereomers)
281389-01	Lead dinitrate