UCSF

ZINC13900863

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 26 No

Popular Name: Tiotropium Bromide Tiotropium Bromide

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CAS Numbers: 136310-93-5 , 139404-48-1 , 186691-13-4 , 411207-31-3

Other Names:

(1a,2,4,5a,7)-7-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide

(1a,2b,4b,5a,7b)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide

(1R,2R,4S,5S,7S)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0

(1R,2R,4S,5S,7s)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide

(1|A,2|A,4|A,5|A,7|A)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatri-cyclo[3.3.1.02.4]nonane bromide

136310-93-5

186691-13-4

3-Oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-

3-oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane,7-((hydroxydi-2-thienylacetyl)oxy)9,9-dimethyl-,bromide,(1alpha,2beta,4beta,5alpha,7beta)-

411207-31-3; D01929; Spiriva (TN); Tiotropium bromide hydrate (JAN); Tiotropium bromide monohydrate

7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide

7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide

AB1004875

AC-1300

AC1L1U0B

AC1Q1RHA

BA 679 BR

BA 679BR

BA-679 BR

BA-679-BR

C19H22NO4S2

CID5487427

CID60830

DAP000344

HMS2090H20

LS-172955

MFCD00867027

MFCD08141831

MFCD22989317

MolPort-005-935-362

MolPort-006-396-155

N/A

NA

NCGC00167971-01

Not available

Spiriva

Spiriva Handihaler

Spiriva Respimat

Tiotropium

Tiotropium bromide hydrate

Tiotropium bromide monohydrate

Tiotropium bromide xhydrate

Tiotropium bromide [USAN:INN]

Tiotropiumbromide

UNII-0EB439235F

UNII-XX112XZP0J

ZINC13900863

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -1.94 8.92 -39.45 1 5 1 59 392.522 5 ↓
Hi High (pH 8-9.5) -1.94 9.21 -55.34 0 5 0 62 391.514 5 ↓

Vendor Notes

Note Type Comments Provided By
Target AChR Selleck Chemicals
Indications obstructive pulmonary disease (COPD) KeyOrganics Bioactives

Activity (Go SEA)

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