Basic information
- CAS
51744-85-5- Standard SMILES
O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1- InChIKey
XEEQGYMUWCZPDN-WFASDCNBSA-N- Molecular formula
- C17H16F6N2O
- Average molar mass
- 378.31 g/mol
- Monoisotopic mass
- 378.11668211
Names & identifiers
- Preferred name
- rel-(alphaR)-alpha-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
- IUPAC
- (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
- English name
- Mefloquine EP impurity C
- Molecular formula
- C17H17ClF6N2O
- Molecular weight
- 414.78
Names & synonyms
GB2GL4S36Z58737-31-8WR177602WR-177602DTXSID901146248Rel-(alphaR)-alpha-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanolRefChem:1098000DTXCID101577827(+)-Threo-Mefloquine51744-85-5(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanolRTI1173-1-1
Show more names
Mefloquine Impurity 7Mefloquineb Impurity 7Mefloquine EP impurity CMefloquine EP Impurity C (as Hydrochloride)
(S,S)-MEFLOQUINE(SR)-(2,8-Bis(trifluoromethyl)-4-quinolyl)-((2SR)-2-piperidyl)methanol(+)-threo-4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, (11S, 2'S)-(S)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2S)-2-piperidyl]methanolthreo-Mefloquine HClUNII-GB2GL4S36ZCHEMBL411685SCHEMBL7278974
Database identifiers
- CAS
51744-85-5、58737-31-8- PubChem CID
- 3000516
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C17H16F6N2O/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/t12-,15-/m0/s1
- InChIKey
- XEEQGYMUWCZPDN-WFASDCNBSA-N
- SMILES
- FC(F)(F)c1nc2c(c(c1)[C@H](O)[C@H]3NCCCC3)cccc2C(F)(F)F
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Usesthreo-Mefloquine is a derivative of Mefloquine (M207050), a quinoline methanol antimalarial agent.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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