SCH 23390 HCl 2mg

CAT: 0628-A13066-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13066-2Size:2 mg

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

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CAS Number

125941-87-9

Chemical Information

SCH-23390 hydrochloride

CAS Number	125941-87-9
PubChem CID	11957535
IUPAC Name	(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
Molecular Formula	C17H19Cl2NO
Molecular Weight	324.2
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	318

SMILES

CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl.Cl

InChI

InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1

InChIKey

OYCAEWMSOPMASE-XFULWGLBSA-N

Chemical Structure

2D Structure

CAS: 125941-87-9

CID: 11957535

Formula: C17H19Cl2NO

MW: 324.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	324.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	323.0843696
Monoisotopic Mass	323.0843696
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	318
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	2
Compound Is Canonicalized	Yes