Asenapine Impurity 6

CAT: 1299-RM-A190506-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A190506-01Size:10 mg

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

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CAS Number

1847487-56-2

Synonyms

(3aS,12bS) -2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

Molecular Formula

C17H17NO

Molecular Weight

251.33

Target Alternative Name

Asenapine

Chemical Information

Deschloro Acenapine

CAS Number	1847487-56-2
PubChem CID	44480818
IUPAC Name	(2S,6S)-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
Molecular Formula	C17H17NO
Molecular Weight	251.32
XLogP	3.1
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	301

SMILES

CN1C[C@H]2[C@H](C1)C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C17H17NO/c1-18-10-14-12-6-2-4-8-16(12)19-17-9-5-3-7-13(17)15(14)11-18/h2-9,14-15H,10-11H2,1H3/t14-,15-/m1/s1

InChIKey

ZGNIVYPANONZHS-HUUCEWRRSA-N

Chemical Structure

2D Structure

CAS: 1847487-56-2

CID: 44480818

Formula: C17H17NO

MW: 251.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.32
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	251.131014166
Monoisotopic Mass	251.131014166
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	301
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	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-75405	Asenapine impurity 1
AR-A07189-01	Asenapine Tetradehydro Impurity
HY-75405R-01	Asenapine impurity 1 (Standard)
A5010-5.1	Asenapine