Chloropretadalafil
Properties
- Molecular formula
- C22H19ClN2O5
- Molar mass
- 426.85 g/mol
- Exact mass
- 426.0982 Da
- logP
- 3.15Crippen estimate
- Polar surface area
- 80.9 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
- Stereocentres
- R, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
171489-59-1SMILES
COC(=O)[C@H]1CC2=C([C@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25InChIKey
JUKHNCNDFOAFLT-IIBYNOLFSA-NInChI
InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (1R,3R)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-B]indole-3-carboxylate
Work with Chloropretadalafil
Similar compounds
Nortadalafil171596-36-467 % similar
Tadalafil171596-29-567 % similar
Ent-tadalafil629652-72-867 % similar
Tadalafil-D3960226-55-567 % similar
Aminotadalafil385769-84-664 % similar
Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate171596-41-160 % similar
Methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride171752-68-457 % similar
Yohimbine146-48-536 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.