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AG00E952

Name: (±)-Asenapine
Brand: Angene Chemical
SKU: AG00E952

65576-45-6 | (±)-Asenapine

Chemical structure of (±)-Asenapine, CAS 65576-45-6

AG00E952

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CAS Number	65576-45-6
Catalog Number	AG00E952(AGN-PC-001V9B)
Chemical Name	(±)-Asenapine
EC Number	265-829-4
IUPAC Name	(2R,6R)-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
InChI	InChI=1S/C17H16ClNO/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/t14-,15-/m0/s1
InChI Key	VSWBSWWIRNCQIJ-GJZGRUSLSA-N
MDL Number	MFCD09838016
Molecular Formula	C17H16ClNO
Molecular Weight	285.7680
SMILES	CN1C[C@]2([H])C3=C(C=CC(Cl)=C3)OC4=C(C=CC=C4)[C@@]2([H])C1
Synonyms	5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole, Asenapine, asenapine maleate, ORG 5222, ORG-5222, saphris, Asenapine, 65576-45-6, (R,R)-asenapine, CHEBI:71256, NCGC00188689-01, DSSTox_CID_28974, DSSTox_RID_83239, DSSTox_GSID_49048, CHEBI:71246, (3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole, CAS-65576-45-6, AC1MI1SQ, SCHEMBL114123, ZINC4893, CHEMBL1201756, DTXSID8049048, KS-00001CPT, BCP02098, Tox21_113596, BDBM50428890, BDBM50445613, Tox21_113596_1, API0017738, CS-0860, NCGC00263540-01, (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, HY-10121, X3224, W-5415, 576A456, UNII-JKZ19V908O component VSWBSWWIRNCQIJ-GJZGRUSLSA-N, 5-Chloro-2,3,3aalpha,12bbeta-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, Saphris, Asenapine maleate, Sycrest, Asenapine [INN:BAN], C17H16ClNO, Org 5222, UNII-JKZ19V908O, Org-5222, C17-H16-Cl-N-O, HSDB 8061, EINECS 265-829-4, CID3036780, trans-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	285.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	285.771g/mol
Monoisotopic Mass	285.092g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited