UCSF

ZINC00967932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 23 No

Popular Name: Tridihexethyl Tridihexethyl

Find On: PubMed — Wikipedia — Google

CAS Numbers: 125-99-5 , 4310-35-4 , 60-49-1

Other Names:

(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium

(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium iodide

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium butanesulfonate; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, butanesulfonate; LS-17259

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, chloride; Benzenepropanaminium, gamma-cyclohexyl-N,N,N-triethyl-gamma-hydroxy-, chloride; C21H36NO.Cl; EINECS 224-323-3; LS-17260

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium decanesulfonate; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, decanesulfonate; LS-17261

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium ethanesulfonate; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, ethanesulfonate; LS-17262

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium hexanesulfonate; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, hexanesulfonate; LS-17263

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide; 1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide; 3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide; 3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodide; 921 C; Ammoniu

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide; 1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide; 3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide; 3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodide; Propethonum io

(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium octanesulfonate; Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, octanesulfonate; LS-17265

125-99-5 (iodide)

125-99-5; C07862; Tridihexethyl iodide

3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium

4310-35-4 (chloride)

4310-35-4; D00723; Pathilon (TN); Tridihexethyl chloride (BAN)

540

60-49-1

60-49-1; C07861; Tridihexethyl

AB00514015

AC1L2FZA

AC1Q76YT

BAN); Tridihexethyl Iodide (INN

Benzenepropanaminium, gamma-cyclohexyl-N,N,N-triethyl-gamma-hydroxy-

BPBio1_001062

BSPBio_000964

C07861

C11761; Tridihexethyl bromide

CHEBI:9701

CID20299

DAP000836

DB00505

FDA

iodure de tridihexethyl; ioduro de tridihexetilo; tridihexethyl iodide; tridihexethyli iodidum

L001320

MI)

NCGC00179360-01

Pathilon

Prestwick0_001042

Prestwick1_001042

Prestwick2_001042

Prestwick3_001042

Propethonum

Propethonum; Tridihexethyl

SPBio_002902

tridihexethyl bromide

Tridihexethyl chloride

Tridihexethyl Chloride (BAN

Tridihexethyl Chloride (FDA

Tridihexethyl Iodide

UNII-7HE50A367X

USP

USP); Tridihexethyl Iodide (INN

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 11.53 -31.39 1 2 1 20 318.525 8 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 6.404 Bitter DB
ALOGPS_SOLUBILITY 1.68e-05 g/l DrugBank-approved
Patent Database Links EP1829534; WO2007135574 ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )