 Home > Encyclopedia > 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate

1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate

1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate structure

CAS No:
5908-89-4
Formula:
C34H42N2O4.H2O4S.H2O
Chemical Name:
1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate
Synonyms:
1,4-Naphthalenedicarboxylic acid,1,2,3,4-tetrahydro-1-phenyl-,bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester,sulfate (1:1),monohydrate;1αH,5αH-Tropan-3α-ol,1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester),sulfate (1:1),monohydrate,stereoisomer;Bellacristin;Belladonnine sulfate monohydrate;Bellacristine;197303-59-6

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1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate Basic Attributes

Molecular Weight：

658.8 g/mol

Exact Mass：

658.29240222 g/mol

Characteristics

PSA：

143 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:658.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:658.29240222
Monoisotopic Mass:658.29240222
Topological Polar Surface Area:143
Heavy Atom Count:46
Complexity:1000
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4S)-rel-

5878-33-1

Hot Searches: tert butyl methyl ether; diisopropyl ether; lead sulfate; avobenzone; sulfur trioxide formula; potassium sulfide formula

Guide of 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, sulfate (1:1), monohydrate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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