Products for Research Use Only
RegisterLogin

Aposcopolamine

CAT: 0926-FA17958-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FA17958-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
535-26-2
Synonyms
α-Methylenebenzeneacetic acid
Smiles
CN1C2CC (CC1C3C2O3) OC (=O) C (=C) C4=CC=CC=C4
Molecular Formula
C17H19NO3
Molecular Weight
285.34 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Apohyoscine

aposcopolamine has been reported in Duboisia myoporoides, Datura inoxia, and other organisms with data available.

CAS Number535-26-2
PubChem CID3083622
IUPAC Name[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
Molecular FormulaC17H19NO3
Molecular Weight285.34
XLogP2.6
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity439
SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4
InChI
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+
InChIKey
JJNVDCBKBUSUII-LHIUVBILSA-N
Chemical Structure
2D Structure
2D structure of Apohyoscine
CAS: 535-26-2
CID: 3083622
Formula: C17H19NO3
MW: 285.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.34
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass285.13649347
Monoisotopic Mass285.13649347
Topological Polar Surface Area42.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-A729000-5MGAposcopolamine
TRC-A729005-10MGAposcopolamine Hydrochloride Salt
CS-O-05916Aposcopolamine Hydrochloride
HY-N8728RAposcopolamine (Standard)
MBS6113286-01Aposcopolamine, Hydrochloride Salt

Popular Products