AG00158H

121524-09-2 | Ethyl 2-(((S)-7-(((R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate hydrochloride

AG00158H

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CAS Number	121524-09-2
Catalog Number	AG00158H(AGN-PC-0PFMN8)
Chemical Name	Ethyl 2-(((S)-7-(((R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetate hydrochloride
IUPAC Name	ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
InChI	InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
InChI Key	NQIZCDQCNYCVAS-RQBPZYBGSA-N
MDL Number	MFCD00886563
Molecular Formula	C22H27Cl2NO4
Molecular Weight	440.3601
SMILES	N(C[C@H](O)C1=CC(Cl)=CC=C1)[C@@H]2CC=3C(=CC=C(OCC(OCC)=O)C3)CC2.Cl
UNII	N910CJ679E
Synonyms	amibegron, SR 58611, SR 58611A, SR-58611A, Amibegron hydrochloride, Amibegron HCl, SR-58611A, SR 58611A, 121524-09-2, SR 58611A hydrochloride, UNII-N910CJ679E, SR58611 hydrochloride, CHEMBL545437, Amibegron hydrochloride [USAN], N910CJ679E, SR58611A, Acetic acid, ((7-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)oxy)-, ethyl ester, hydrochloride, (R-(R*,S*))-, Amibegron hydrochloride (USAN), C22H26ClNO4.HCl, AC1L3TL7, NQIZCDQCNYCVAS-RQBPZYBGSA-N, BDBM50212977, AKOS024457912, SB19719, N-(7-Hydroxy-1,2,3,4-tetrahydronaphth-2-yl)-2-hydroxy-2-(3-chlorophenyl)ethanol, LS-11398, N-(7-Hydroxy-1,2,3,4-tetrahydronaphth-2-yl)-2-hydroxy-2-(3-chlorophenyl)ethanol hydrochloride, HY-103207, CS-0025298, SR-58611A, >=98% (HPLC), D08851, J-004517, [[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]ox]yacetic acid ethyl ester hydrochloride, Acetic acid, [[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, hydrochloride (1:1), ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate hydrochloride, amibegron, C22-H26-Cl-N-O4.Cl-H, CID121888, SR 58611, 121524-09-2 (HCl), C076252,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	439.132g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	440.361g/mol
Monoisotopic Mass	439.132g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H410
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3077

Certificate of Analysis

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