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CAS No 510-25-8 , 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer

  • Name: 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
  • Synonyms: Tropylisatropate;1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)ester (9CI); Ditropyl isatropate;1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer; 1aH,5aH-Tropan-3a-ol,1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (2:1) (ester) (8CI); Isatropylditropeine;Belladonnine (6CI,7CI);
  • CAS Registry Number:
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: 1.24g/cm3
  • Refractive index: 1.627
  • Flash Point: °C
  • EINECS: 227-550-6
  • Molecular Weight: 0
  • InChI: InChI=1/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34-/m0/s1
  • Molecular Formula: C34H42 N2 O4
  • Molecular Structure:CAS No:510-25-8 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer

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1/1
References of 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
Title: Belladonnine
CAS Registry Number: 510-25-8
CAS Name: 1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester
Synonyms: isatropylditropeine; tropyl isatropate; ditropyl isatropate
Molecular Formula: C34H42N2O4
Molecular Weight: 542.71
Percent Composition: C 75.25%, H 7.80%, N 5.16%, O 11.79%
Literature References: From Atropa belladonna L. and allied Solanaceae. Probably formed during the process of extraction. Upon hydrolysis the substance extracted from plants yields b-isatropic acid and tropine: Küssner, Arch. Pharm. 276, 617 (1938); Hotovy et al., US 2734062 (1956 to E. Merck).
Properties: Crystals from ethyl acetate, mp 129°. Sparingly sol in water, petr ether. Sol in alcohol, benzene, chloroform, ethyl acetate.
Melting point: mp 129°
 
Derivative Type: Bisulfate monohydrate
CAS Registry Number: 5908-89-4
Trademarks: Bellacristin
Molecular Formula: C34H42N2O4.H2SO4.H2O
Molecular Weight: 658.80
Percent Composition: C 61.99%, H 7.04%, N 4.25%, O 21.86%, S 4.87%
Properties: Crystals, sol in water.
 
Derivative Type: Bis[ethobromide] tetrahydrate
Synonyms: Belladonnine bis[bromoethylate] tetrahydrate
Manufacturers' Codes: C-100
Molecular Formula: C38H52Br2N2O4.4H2O
Molecular Weight: 832.70
Percent Composition: C 54.81%, H 7.26%, Br 19.19%, N 3.36%, O 15.37%
Properties: A quaternary tetrahydrate salt, crystals from water + acetone, mp 98-101°. uv max: 258, 261 nm. E1%1cm 4.8. Sol in water, methanol, ethanol. Practically insol in ether, petr ether, benzene, ethyl acetate.
Melting point: mp 98-101°
Absorption maximum: uv max: 258, 261 nm
 
 
Status: This monograph has been retired and is no longer subject to revision or update.