Ambrisentan
Properties
- Molecular formula
- C22H22N2O4
- Molar mass
- 378.43 g/mol
- Exact mass
- 378.1580 Da
- Melting point
- 165–168 °C
- logP
- 3.52Crippen estimate
- Polar surface area
- 81.5 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 7
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H351 Suspected of causing cancer33.3% of notifiers
- H360FD May damage fertility; May damage the unborn child66.7% of notifiers
- H361 Suspected of damaging fertility or the unborn child33.3% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P280, P318, P319, P405, P501
Identifiers
CAS number
177036-94-1SMILES
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)OInChIKey
OUJTZYPIHDYQMC-LJQANCHMSA-NInChI
InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenepropanoic acid, α-[(4,6-dimethyl-2-pyrimidinyl)oxy]-β-methoxy-β-phenyl-, (αS)-
- Benzenepropanoic acid, α-[(4,6-dimethyl-2-pyrimidinyl)oxy]-β-methoxy-β-phenyl-, (S)-
- (αS)-α-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-β-methoxy-β-phenylbenzenepropanoic acid
- BSF 208075
- LU 208075
- Letairis
- Volibris
- (+)-(2S)-2-[(4,6-Dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
- (2S)-2-(4,6-Dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Work with Ambrisentan
Similar compounds
DL-2-Phenoxypropionic acid940-31-840 % similar
2-Phenoxybutanoic acid13794-14-435 % similar
(+)-Methoxyphenylacetic acid26164-26-135 % similar
(R)-(-)-Alpha-methoxyphenylacetic acid3966-32-335 % similar
Methoxyphenylacetic acid7021-09-235 % similar
(S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-535 % similar
(R)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid20445-31-235 % similar
Mosher's acid81655-41-635 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds