Ivabradine Impurity 79

CAT: 1299-RM-I220279-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I220279-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

869856-10-0

Synonyms

Ethyl (S) - ((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methyl) carbamate

Molecular Formula

C14H19NO4

Molecular Weight

265.31

Target Alternative Name

Ivabradine

Product Name Synonym

Ethyl (S) - ((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methyl) carbamate

Chemical Information

Ivabradine impurity 9

CAS Number	869856-10-0
PubChem CID	23590135
IUPAC Name	ethyl N-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]carbamate
Molecular Formula	C14H19NO4
Molecular Weight	265.30
XLogP	1
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	310

SMILES

CCOC(=O)NC[C@H]1CC2=CC(=C(C=C12)OC)OC

InChI

InChI=1S/C14H19NO4/c1-4-19-14(16)15-8-10-5-9-6-12(17-2)13(18-3)7-11(9)10/h6-7,10H,4-5,8H2,1-3H3,(H,15,16)/t10-/m1/s1

InChIKey

GJIGBWPQLXKDIU-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 869856-10-0

CID: 23590135

Formula: C14H19NO4

MW: 265.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.30
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	265.13140809
Monoisotopic Mass	265.13140809
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes