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CAS No 136310-93-5 , 6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate

  • Name: 6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate
  • Synonyms: 136310-93-5;6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate; BA 679BR; BA 679 BR; UNII-XX112XZP0J;TIOTROPIUM BROMIDE; BA-679 BR; Spiriva Handihaler; Spiriva Respimat; Spiriva;
  • CAS Registry Number:
  • Melting Point: 218-220 °C
  • Molecular Weight: 472.41628
  • InchiKey: DQHNAVOVODVIMG-RGECMCKFSA-M
  • InChI: InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18
    (21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,
    1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
  • Molecular Formula: C19H22BrNO4S2
  • Molecular Structure:CAS No:136310-93-5 6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate

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References of 6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate
Title: Tiotropium Bromide
CAS Registry Number: 136310-93-5
CAS Name: (1a,2b,4b,5a,7b)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
Synonyms: 6b,7b-epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide, di-2-thienylglycolate
Manufacturers' Codes: Ba-679 BR; Ba-679
Trademarks: Spiriva (Boehringer, Ing.)
Molecular Formula: C19H22BrNO4S2
Molecular Weight: 472.42
Percent Composition: C 48.31%, H 4.69%, Br 16.91%, N 2.96%, O 13.55%, S 13.57%
Literature References: Muscarinic receptor antagonist. Prepn: R. Banholzer et al., EP 418716; eidem, US 5610163 (1991, 1997 both to Boehringer Ingelheim). Pharmacology: T. Takahashi et al., Am. J. Respir. Crit. Care Med. 150, 1640 (1994). Binding study: E.-B. Haddad et al., Mol. Pharmacol. 45, 899 (1994). Comparative clinical trial with salmeterol, q.v., in chronic obstructive pulmonary disease (COPD): J. F. Donohue et al., Chest 122, 47 (2002).
Properties: mp 218-220°.
Melting point: mp 218-220°
Therap-Cat: Bronchodilator.
Keywords: Bronchodilator; Quaternary Ammonium Compounds; Antimuscarinic.