Basic information
- Name:
2(1H)-Quinolinone,8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-
- Superlist Name:
- Carmoterol
- CAS No.:
147568-66-9
- Molecular Structure:
![Molecular Structure of 147568-66-9 (2(1H)-Quinolinone,8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-)](http://www.lookchem.com/300w/2010/0619/147568-66-9.jpg)
- Formula:
- C21H24N2O4
- Molecular Weight:
- 368.43
- Synonyms:
- 8-Hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-1H-quinolin-2-one;2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, (R-(R*,R*))-;8-Hydroxy-5-[(1R)-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-1H-quinolin-2-one;CHF 4226;CID6093400;
- Density:
- 1.247 g/cm3
- Boiling Point:
- 634.487 °C at 760 mmHg
- Flash Point:
- 337.526 °C
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Specification
The Carmoterol with CAS registry number of 147568-66-9 is also known as 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, (R-(R*,R*))-. The IUPAC name is 8-Hydroxy-5-[(1R)-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-1H-quinolin-2-one. In addition, the formula is C21H24N2O4 and the molecular weight is 368.43.
Physical properties about Carmoterol are: (1)XLogP3-AA: 2.1; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 7; (5)Tautomer Count: 6; (6)Exact Mass: 368.173607; (7)MonoIsotopic Mass: 368.173607; (8)Topological Polar Surface Area: 90.8; (9)Heavy Atom Count: 27; (10)Complexity: 518; (11)Defined Atom StereoCenter Count: 1; (12)Undefined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(CC1=CC=C(C=C1)OC)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O
2. Isomeric SMILES: CC(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O
3. InChI: InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13?,19-/m0/s1
4. . InChIKey: IHOXNOQMRZISPV-YFKXAPIDSA-N