AG00I991

51773-92-3 | 4-Quinolinemethanol, a-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-,monohydrochloride, (aS)-rel-

AG00I991

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CAS Number	51773-92-3
Catalog Number	AG00I991(AGN-PC-0SB6LH)
Chemical Name	4-Quinolinemethanol, a-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-,monohydrochloride, (aS)-rel-
EC Number	257-412-0
IUPAC Name	(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
InChI	InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1
InChI Key	WESWYMRNZNDGBX-YLCXCWDSSA-N
MDL Number	MFCD00797519
Molecular Formula	C17H17ClF6N2O
Molecular Weight	414.7731
SMILES	O[C@@H](C1=CC(C(F)(F)F)=NC2=C(C(F)(F)F)C=CC=C12)[C@@H]3NCCCC3.[H]Cl
UNII	326VC85GV6
Synonyms	Lariam, Mefloquine, Mefloquine Hydrochloride, Mephloquine, Ro 21 5998 001, Ro-21-5998-001, Ro215998001, WR 142,490, WR 177,602, WR-142,490, WR-177,602, WR142,490, WR177,602, Mefloquine hydrochloride, 51773-92-3, Mefloquine HCL, Mephaquin, Loriam, Mefloquine (hydrochloride), WR 142490 hydrochloride, NSC 157387, UNII-326VC85GV6, Mefloquin Hydrochloride, Ro 21-5998/001, EINECS 257-412-0, 326VC85GV6, DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride, DSSTox_CID_27796, DSSTox_RID_82568, DSSTox_GSID_47819, MLS001332559, (AS)-rel-a-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride, (R*,S*)-(1)-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol monohydrochloride, (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol hydrochloride, 4-Quinolinemethanol, alpha-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, monohydrochloride, (alphaS)-rel-, 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, monohydrochloride, (R*,S*)-(+-)-, CAS-51773-92-3, NCGC00161831-02, 51742-86-0, SMR000875233, TCMDC-124288, mefloquine-hcl, Mefloquine hydrochloride, (+), MFCD00797519, Mefloquine hydrochloride [USAN], NSC-157387, GNF-Pf-5559, AK-78309, Lariam (TN), Mefloquine hydrochloride [USAN:USP], Mefloquinehydrochloride, CHEMBL1606, SCHEMBL41094, C17H16F6N2O.HCl, MLS001332560, AC1L232A, CHEBI:6719, DTXSID1047819, (+/-)-Mefloquine Hydrochloride, KS-000015FZ, Tox21_111999, HY-17437A, s4420, Mefloquine hydrochloride (JP17/USP), AKOS015919767, Tox21_111999_1, AC-4686, CS-1430, GS-3621, NC00622, NCGC00161831-04, AN-11705, BC202800, BR-78309, CPD000875233, M637, PC404546, SAM002699894, AB0015316, AB1008604, AX8016625, LS-142001, M2313, SW220098-1, Ro-21-5998/001, D00831, Mefloquine hydrochloride, >=98% (HPLC), powder, Q-201345, UNII-5Y9L3636O3 component WESWYMRNZNDGBX-YLCXCWDSSA-N, Mefloquine hydrochloride, European Pharmacopoeia (EP) Reference Standard, (|AS)-rel-|A-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol, (2,8-Bis-trifluoromethylquinolin-4-yl)-piperidin-2-yl-methanol hydrochloride(R*,S*), (S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2R)-2-piperidyl]methanol hydrochloride, (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol hydrochloride, 4-Quinolinemethanol,alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-,(R*,S*)-(+-), Mefloquine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, Mefloquine hydrochloride, United States Pharmacopeia (USP) Reference Standard, (AS)?-?rel-?a-?(2R)?-?2-?Piperidinyl-?2,8-?bis(trifluoromethyl)?-?4-?quinolinemethanol monohydrochloride, 4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-alpha-2-piperidinyl-, monohydrochloride,(R*,S*)-, (+-)-, 4-Quinolinemethanol, a-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-,monohydrochloride, (aS)-rel-, 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, monohydrochloride, (R*,S*)- (+-)-, Lariam, mefloquine, C17H16F6N2O.ClH, UNII-5Y9L3636O3, C17H16F6N2O, TCMDC-123920, CID65329, C17-H16-F6-N2-O.Cl-H, 5Y9L3636O3, WR 142490, WR-142490, A3593, C(F)(F)(F)c1cccc2c1nc(cc2C(O)C3CCCCN3)C(F)(F)F, (2R)-(+/-)-alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride, (R*,S*)-(+-)-alpha-2-piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol monohydrochloride, 4-Quinolinemethanol, .alpha.-2-piperidinyl-2,8-bis(trifluoromethyl)-, monohydrochloride, (R*,S*)-(.+.)-, MQ,

Complexity	483
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	414.093g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	414.776g/mol
Monoisotopic Mass	414.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number