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Home > Encyclopedia > Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt)

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt)

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt) structure

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt) 

structure
  • CAS No:

    750-88-9

  • Formula:

    C20H24N2O2.C7H6O2

  • Chemical Name:

    Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt)

  • Synonyms:

    Cinchonan-9-ol,6′-methoxy-,(8α,9R)-,monobenzoate (salt);Quinine,monobenzoate (salt)

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, monobenzoate (salt) Basic Attributes

444.52200

444.20500

212-026-1

29392000

Characteristics

60.89000

5.33440

495.9ºC at 760 mmHg

Safety Information

36/37/38

S24/25

Xi

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:446.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:446.22055744
Monoisotopic Mass:446.22055744
Topological Polar Surface Area:82.9
Heavy Atom Count:33
Complexity:560
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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