Products for Research Use Only

Asenapine hydrochloride

CAT: 0607-A3192-1000Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A3192-1000Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Atypical antipsychotic
CAS Number
1412458-61-7
Product Name Alternative
(3aS,12bS)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole hydrochloride
Sequence
Saphris hydrochloride
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.98
Solubility
Soluble in DMSO
Smiles
ClC1=C([H])C2=C(C([H])=C1[H])OC3=C([H])C([H])=C([H])C([H])=C3[C@]4([H])[C@]2([H])C([H])([H])N(C([H])([H])[H])C4([H])[H].Cl[H]
Molecular Formula
C17H17Cl2NO
Molecular Weight
322.23
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Asenapine hydrochloride
CAS Number1412458-61-7
PubChem CID49849508
IUPAC Name(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
Molecular FormulaC17H17Cl2NO
Molecular Weight322.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.Cl
InChI
InChI=1S/C17H16ClNO.ClH/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;/h2-8,14-15H,9-10H2,1H3;1H/t14-,15-;/m1./s1
InChIKey
FNJQDKSEIVVULU-CTHHTMFSSA-N
Chemical Structure
2D Structure
2D structure of Asenapine hydrochloride
CAS: 1412458-61-7
CID: 49849508
Formula: C17H17Cl2NO
MW: 322.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass321.0687196
Monoisotopic Mass321.0687196
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes