UCSF

ZINC13454202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 20 No

Popular Name: Anisotropine methylbromide Anisotropine methylbromide

Find On: PubMed — Wikipedia — Google

CAS Number: 80-50-2

Other Names:

(1r,5r)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide

(3-endo)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide

pin(e)

trop-

1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate

1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate

2-Propylpentanoyltropinium methylbromide

3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 2-propylvalerate

3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide 2-propylvalerate

8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide

8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, bromide, endo-

8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide

8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide; 8-Methyltropinium bromide 2-propylpentanoate; 8-Methyltropinium bromide 2-propylvalerate; Anisotropine methobromide; Anisotropine methylbromide; Methyloctatropine bromide; endo-8,8-Dimethyl-3-((1-oxo-2-p

8-Methyltropinium bromide 2-propylpentanoate

8-Methyltropinium bromide 2-propylvalerate

80-50-2

80-50-2; Anisotropine methylbromide (USAN); D00232; Methyloctatropine bromide (JAN); Octatropine methylbromide (INN); Valpin (TN); Valpin 50 (TN)

80-50-2; Anisotropine methylbromide; C06830; Methyloctatropine bromide

A5181_SIGMA

AC1L1MZS

AC1LCW69

AC1Q1RH2

Anisotropine

Anisotropine methobromide

Anisotropine methyl bromide

Anisotropine Methylbromide

Anisotropine Methylbromide (FDA

Anisotropine Methylbromide (JAN

Anisotropine methylbromide (USAN)

Anisotropine methylbromide [USAN:JAN]

anisotropine methylbromide, (endo)-isomer

AR-1A1324

C06830

C17H32NO2

CHEBI:2739

CHEMBL1578

CID657201

CID6647

D00232

DAP000837

DB00517

EINECS 201-285-6

endo-8,8-Dimethyl-3-((1-oxo-2-propylpentyl)oxy)-8-azoniabicyclo(3.2.1)octane bromide

Endovalpin

FDA

FDA); Octatropine Methylbromide (BAN

HSDB 3010

INN)

JAN

KST-1A8552

LS-157873

Lytispasm

Methylbromure d'octatropine

Methylbromure d'octatropine [INN-French]

methylbromure d'octatropine; metilbromuro de octatropina; octatropine methylbromide; octatropini methylbromidum

Methyloctatropine bromide

Methyloctatropine bromide (JAN)

Metilbromuro de octatropina

Metilbromuro de octatropina [INN-Spanish]

MFCD00083234

MLS000028664

MLS001146935

MolPort-003-940-196

N/A

Octatropine

Octatropine Methylbromide

Octatropine methylbromide (INN)

Octatropini methylbromidum

Octatropini methylbromidum [INN-Latin]

Octatropone Bromide

SMR000058851

UNII-62M960DHIL

USAN

USAN); Octatropine Methylbromide (BAN

Valpin

Valpin (TN)

Valpin 50

Valpin 50 (TN)

[(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide

[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide

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) 0.24 12.14 -32.8 0 3 1 26 282.448 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.67e-05 g/l DrugBank-approved
Target Others Selleck Chemicals
Patent Database Links WO2007135574 ChEBI

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