AG003CY1

85375-15-1 | SKF89976A (hydrochloride)

AG003CY1

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CAS Number	85375-15-1
Catalog Number	AG003CY1(AGN-PC-0LVERG)
Chemical Name	SKF89976A (hydrochloride)
IUPAC Name	1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H
InChI Key	SNGGBKYQZVAQKA-UHFFFAOYSA-N
MDL Number	MFCD01321071
Molecular Formula	C22H26ClNO2
Molecular Weight	371.9003
SMILES	Cl.C1(=CC=CC=C1)C(=CCCN1CC(CCC1)C(=O)O)C1=CC=CC=C1
Synonyms	85375-15-1, SKF 89976A hydrochloride, 1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride, SKF-89976A, 1-(4,4-Diphenyl-3-butenyl)-3-piperidinecarboxylic acid hydrochloride, SKF 89976A HCl, SKF89976A (hydrochloride), 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid hydrochloride, C22H26ClNO2, 1-(4,4-Diphenyl-3-buten-1-yl)-3-piperidinecarboxylic acid hydrochloride, CHEMBL543557, SMR000326919, SR-01000076217, AC1OCEO0, EU-0101151, SKF89976A(hydrochloride), SKF-89976A Hydrochloride, MLS000860061, MLS006010709, SCHEMBL10964540, CTK8C4819, KS-00001CLC, DTXSID60426065, SK&F 89976-A, hydrochloride, HMS3676G03, BCP02921, SK&F-89976A, Tox21_501151, ANW-73232, BN0612, MFCD01321071, AKOS016008496, API0008304, CS-6040, HY-100228A, LP01151, TRA0077645, NCGC00094414-01, NCGC00261836-01, AC-27756, BCP0726000297, AX8050759, LS-114699, TC-161977, SKF-89976A, >98% (HPLC), solid, ST24037269, X6861, S 9066, SR-01000076217-1, SR-01000076217-3, 1-(4,4-diphenyl-3-butenyl)-3-piperidine carboxylic acid hydrochloride, 1-(4,4-diphenyl-3-butenyl)-3-piperidinecarboxylic acid hydrochloride;SKF 89976A HCl, 1-(4,4-diphenyl-3-butenyl)-3-piperidinecarboxylic acid hydrochloride?SKF 89976A HCl, C22H25NO2.HCl, SNGGBKYQZVAQKA-UHFFFAOYSA-N, CID6917797,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.165g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	371.905g/mol
Monoisotopic Mass	371.165g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313
UN Code

Certificate of Analysis

Lot Number