CAS 105826-92-4|3-Tropanylindole-3-carboxylate monohydrochloride|8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride|Navoban|ICS-205,930|8-methyl-8-azabicyclo[3.2.1]octan-3-...

General Information

Structure

Molecular Formula

C₁₇H₂₁ClN₂O₂

Molecular Mass

320.81384

Exact Mass

320.1291556

Charge

InChI

InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H

InChIKey

XIEGSJAEZIGKSA-UHFFFAOYSA-N

Canonic Smiles

CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2.Cl

Isomeric Smiles

CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2.Cl

Calculated Properties

JChem

Acid pKa

12.182885

H Acceptors

H Donor

LogD (pH = 5.5)

-0.70924056

LogD (pH = 7.4)

0.69646686

Log P

2.6276226

Molar Refractivity

81.5023

Polarizability

32.93648

Polar Surface Area

45.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-Tropanylindole-3-carboxylate monohydrochlorideNavobanICS-205,930Tropisetron monohydrochlorideendo-8-Methyl-8-azabicyclo[3.2.1]oct-3-ol Indol-3-yl-carboxylate 盐酸盐Tropisetron1H-Indole-3-carboxylic Acid (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl Ester HydrochlorideSDZ-ICS 930Tropisetron HydrochlorideNovaban

IUPAC Traditional name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride

IUPAC name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Product Information

Purity

≥98% (HPLC)

Certificate of Analysis

Download link

Safety Information

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

2-8°C

Download link

Hygroscopic, Refrigerator, Under Inert Atmosphere

Pharmacology Properties

human ... CHRNA3(1136), CHRNA4(1137), CHRNB2(1141), CHRNB4(1143), HTR3A(3359), HTR3B(9177), HTR3C(170572), HTR3D(200909), HTR3E(285242)rat ... Chrna7(25302), Drd2(24318), Htr1a(24473), Htr3a(79246)

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

TRC

T892700

Specific serotonin (5-HT3) receptor antagonist. Antiemetic.

Sigma Aldrich

T104

Biochem/physiol Actions
3-Tropanylindole-3-carboxylate hydrochloride is a selective 5-HT3 serotonin receptor antagonist.
Tropisetron a selective serotonin 5-HT3 receptor antagonist is used mainly as an antiemetic to treat nausea and vomiting following chemotherapy . In the treatment of fibromyalgia syndrome (FMS) tropisetron reduced not only pain perception but also had a favourable effect on cardiac dysfunction during treatment.

Molecule Details

References

PubChem Literature

From Data Sources

• Fischer, V., et al.: Dug Metab.

• Williams, F.M., et al.: J. Cardiovasc. Pharmacol., 7, 550 (1985)

• Seynaeve, C., et al.: Anti-Cancer Drugs, 2, 343 (1985)

• Waeber, C., et al.: Neuroscience, 31, 393 (1985)

• Richardson, B.P., et al.: Nature, 316, 126 (1985)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride

IUPAC name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Molecule Details

T892700

Specific serotonin (5-HT3) receptor antagonist. Antiemetic.

Sigma Aldrich

T104

References

PubChem Literature

From Data Sources

• Fischer, V., et al.: Dug Metab.

• Williams, F.M., et al.: J. Cardiovasc. Pharmacol., 7, 550 (1985)

• Seynaeve, C., et al.: Anti-Cancer Drugs, 2, 343 (1985)

• Waeber, C., et al.: Neuroscience, 31, 393 (1985)

• Richardson, B.P., et al.: Nature, 316, 126 (1985)

Bioactivity

PubChem BioAssay

Properties

Product Information

Purity

≥98% (HPLC)

Certificate of Analysis

Download link

Safety Information

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

2-8°C

Download link

Hygroscopic, Refrigerator, Under Inert Atmosphere

Pharmacology Properties

human ... CHRNA3(1136), CHRNA4(1137), CHRNB2(1141), CHRNB4(1143), HTR3A(3359), HTR3B(9177), HTR3C(170572), HTR3D(200909), HTR3E(285242)rat ... Chrna7(25302), Drd2(24318), Htr1a(24473), Htr3a(79246)

Molecule

ID:132624