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HALOFUGINONELACTATE

HALOFUGINONELACTATE structure

CAS No:
82186-71-8
Formula:
C19H23BrClN3O6
Chemical Name:
HALOFUGINONELACTATE
Synonyms:
CTK3E8508;DTXSID701002535;2-Hydroxypropanoic acid--7-bromo-6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4(3H)-one (1/1);7-Bromo-6-chloro-3-(3-((3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one 2-hydroxypropanoate;7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one 2-hydroxypropanoic acid;7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one; 2-hydroxypropanoic acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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HALOFUGINONELACTATE Basic Attributes

Molecular Weight：

504.759

Exact Mass：

503.045868

Characteristics

PSA：

141.75000

XLogP3：

1.66510

Boiling Point：

595.8ºC at 760mmHg

Flash Point：

314.1ºC

Safety Information

GHS Classification：

|Danger|H300 (57.78%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P262, P264, P270, P271, P272, P273, P280, P281, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P314, P320, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 90 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:504.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:503.04588
Monoisotopic Mass:503.04588
Topological Polar Surface Area:140
Heavy Atom Count:30
Complexity:592
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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halofuginonlactat

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