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AG00G4SE

81039-77-2 | rac-Desethyl Oxybutynin (hydrochloride)

AG00G4SE

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CAS Number	81039-77-2
Catalog Number	AG00G4SE(AGN-PC-0UILNX)
Chemical Name	rac-Desethyl Oxybutynin (hydrochloride)
IUPAC Name	4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
InChI	InChI=1S/C20H27NO3.ClH/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18;/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3;1H
InChI Key	DSWCYTSHCYXHGW-UHFFFAOYSA-N
MDL Number	MFCD02682895
Molecular Formula	C20H28ClNO3
Molecular Weight	365.8942
SMILES	O=C(C(C1CCCCC1)(C2=CC=CC=C2)O)OCC#CCNCC.Cl
Synonyms	deethyloxybutynin, desethyloxybutynin, desethyloxybutynin hydrochloride, N-desethyloxybutynin, 81039-77-2, N-Desethyl Oxybutynin HCl, Desethyloxybutynin Hydrochloride, Desethyloxybutynin,hydrochloride, SCHEMBL8205775, rac Desethyl Oxybutynin Hydrochloride, API0000518, (R) - Desethyl Oxybutynin Hydrochloride, ACM1173147631, ACM1216405150, FT-0665995, 4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride, 4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride, (\|AR)-\|A-Cyclohexyl-\|A-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butyn-1-yl Ester Hydrochloride, (\|AS)-\|A-Cyclohexyl-\|A-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butyn-1-yl Ester Hydrochloride, DSWCYTSHCYXHGW-UHFFFAOYSA-N, N-Desethyl Oxybutynin Hydrochloride, DESETHYLOXYBUTYNIN, HYDROCHLORIDE, (R)-N-Desethyl Oxybutynin Hydrochloride, (S)-N-Desethyl Oxybutynin Hydrochloride, CID9842085, rac Desethyl Oxybutynin-d5 Hydrochloride, rac Desethyl Oxybutynin-d11 Hydrochloride, 181647-12-1, 181647-14-3, a-Cyclohexyl-a-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butynyl Ester, 4-ethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate Hydrochloride, \|A-Cyclohexyl-\|A-hydroxybenzeneacetic Acid 4-(Ethylamino)-2-butynyl Ester Hydrochloride Salt,

Complexity	452
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	365.176g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	365.898g/mol
Monoisotopic Mass	365.176g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited