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Ketanserin tartrate

Ketanserin tartrate structure

CAS No:
83846-83-7
Formula:
C22H22FN3O3.C4H6O6
Chemical Name:
Ketanserin tartrate
Synonyms:
2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-,(2R,3R)-2,3-dihydroxybutanedioate (1:1);2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-,[R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1);Ketanserin tartrate;R 49945;KJK 945;Serepress;Sufrexal;Perketan;Ket;84001-70-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ketanserin tartrate Basic Attributes

Molecular Weight：

545.51400

Exact Mass：

545.18095764 g/mol

EC Number：

281-062-8

Characteristics

PSA：

190.23000

XLogP3：

0.23910

Appearance：

UN 2811 6.1/PG 3

Boiling Point：

784ºC

Flash Point：

425.8ºC

Storage Conditions：

2-8ºC

Collision Cross Section：

193.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R25

safety instructions：

S22; S36/37/39; S45

RTECS Number：

VA1411195

Marks：

GHS Classification：

|Danger|H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501|Aggregated GHS information provided by 47 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:545.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:545.18095764
Monoisotopic Mass:545.18095764
Topological Polar Surface Area:185
Heavy Atom Count:39
Complexity:761
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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