(S,S)-Formoterol D-Tartrate - CAS 208102-43-6

Catalog:	BB064614
Product Name:	(S,S)-Formoterol D-Tartrate
CAS:	208102-43-6
Synonyms:	(S,S)-Formoterol D-tartrate; (2S,3S)-2,3-dihydroxybutanedioic acid; N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide

Technical Data

IUPAC Name:	(2S,3S)-2,3-dihydroxybutanedioic acidN-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
Description:	(S,S)-Formoterol D-Tartrate is a useful compound in the preparation of optically pure isomers of formoterol.
Molecular Weight:	494.49
Molecular Formula:	C23H30N2O10
Canonical SMILES:	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(C(C(=O)O)O)(C(=O)O)O
InChI:	InChI=1S/C19H24N2O4.C4H6O6/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-225-1(3(7)8)2(6)4(9)10/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+1-,2-/m00/s1
InChI Key:	FCSXYHUNDAXDRH-IUYQBNQQSA-N
References:	Gao, Y., et al.: PCT Int. Appl. WO 9821175 A1 19980522 (1998).

Complexity:	521
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	494.19004516
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	11
Hydrogen Bond Donor Count:	8
Isotope Atom Count:	0
Monoisotopic Mass:	494.19004516
Rotatable Bond Count:	11
Topological Polar Surface Area:	206Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0