Zosuquidar Trihydrochloride

HCID 153997

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Basic information

CAS: 167465-36-3
Standard SMILES: Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN(C2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1
InChIKey: ZPFVQKPWGDRLHL-ZLYBXYBFSA-N
Molecular formula: C32H34Cl3F2N3O2
Average molar mass: 637 g/mol
Monoisotopic mass: 635.168467

Overview

See also: Zosuquidar Trihydrochloride (annotation moved to).

Names & identifiers

Preferred name: Zosuquidar Trihydrochloride
IUPAC: (2R)-1-[4-[(2R,4S)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;trihydrochloride
English name: ZOSUQUIDAR TRIHYSROCHLORIDE
Molecular formula: C32H32ClF2N3O2
Molecular weight: 564.07

Names & synonyms

167465-36-3Zosuquidar TrihydrochlorideZosuquidar 3HClLY335979 trihydrochlorideLY 335979Ly335979Zosuquidar Trihydrochloride [USAN]DTXSID1057662Zosuquidar (LY335979) 3HClMFCD00942300NSC-725086Zosuquidar (trihydrochloride)

Show more names

TrihydrochlorideZosuquidar TriHClCS-58D06387RS 33295-198LY335979) 3HClZosuquidr.3HCl

Zosuquidar HydrochlorideZosuquidar HClZosuquidar trihydrochloride (USAN)EX-A2191Tox21_113964813AGY3126(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol trihydrochloride(R)-1-(4-((1aR,6r,10bS)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl)piperazin-1-yl)-3-(quinolin-5-yloxy)propan-2-ol trihydrochloride

Database identifiers

CAS: 167465-36-3
PubChem CID: 153997
DTXSID: DTXSID1057662
ChEMBL: CHEMBL2074689
UNII: 813AGY3126

Properties

Computed structural properties

Topological polar surface area: 48.8 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 42
Formal charge: 0
Complexity: 806

Physicochemical properties

Melting point: 172 · 172-176°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Methanol (Slightly), Water (Slightly, Sonicated)
form: Solid
color: Pale Yellow to Light Yellow
InChIKey: VQJFFWJUYDGTQZ-NMTXSAMUNA-N
SMILES: FC1([C@H]2C3C=CC=CC=3[C@H](N3CCN(C[C@@H](O)COC4C=CC=C5N=CC=CC=45)CC3)C3C=CC=CC=3[C@@H]12)F.Cl |&1:2,9,15,37,r|
NCI Dictionary of Cancer Terms: 335979 · LY335979; zosuquidar trihydrochloride
FDA UNII: 813 AGY3126 · 813AGY3126
NCI Drug Dictionary: zosuquidar trihydrochloride
Symbol(GHS): 5 · GHS05,GHS07,GHS02
Signal word: Danger
Hazard statements: 302 · H302+H312-H314-H226
Precautionary statements: 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

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

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS02
Hazard statements: H302+H312-H314-H226
Precautionary statements: P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Applications

UsesMulti-drug resistance (MDR) modulator; selective inhibitor of P-glycoprotein (P-gp). Antineoplastic adjunct (chemosensitizer).

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

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Compound notes

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