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Metopimazine

Metopimazine structure

CAS No:
14008-44-7
Formula:
C22H27N3O3S2
Chemical Name:
Metopimazine
Synonyms:
4-Piperidinecarboxamide,1-[3-[2-(methylsulfonyl)-10H-phenothiazin-10-yl]propyl]-;Isonipecotamide,1-[3-[2-(methylsulfonyl)phenothiazin-10-yl]propyl]-;1-[3-[2-(Methylsulfonyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinecarboxamide;EXP 999;1-[3-[2-(Methylsulfonyl)phenothiazin-10-yl]propyl]isonipecotamide;Metopimazine;2-Methylsulfonyl-10-[3-(4-carbamoylpiperidino)propyl]phenothiazine;RP 9965;1-[3-[2-(Methylsulfonyl)phenothiazin-10-yl]propyl]-4-piperidinecarboxamide;Vogalene;14170-03-7
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

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Description

Pale Yellow Solid

Metopimazine is a member of phenothiazines.

Metopimazine Basic Attributes

Molecular Weight：

445.59808

Exact Mass：

445.60

EC Number：

237-818-4

UNII：

238S75V9AV

DSSTox ID：

DTXSID80161224

ATC Code：

A - Alimentary tract and metabolism

HScode：

2934300000

Characteristics

PSA：

117

XLogP3：

3.19

Density：

1.1920 (rough estimate)

Melting Point：

170.5 °C

Boiling Point：

721.2±60.0 °C(Predicted)

Flash Point：

364.4±34.3 °C

Refractive Index：

1.6320 (estimate)

Vapor Pressure：

1.18E-20mmHg at 25°C

Toxicity：

LD50 in male rats (mg/kg): 976 orally, 1080 s.c. (Goldenthal)

Collision Cross Section：

196.3 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (92.31%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 14 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)

MeSH Entry Terms：

1-(3-(2-methylsulfonylphenothiazin-10-yl) propyl)isonipecotinamide

Metopimazine Use and Manufacturing

Labelled Metopimazine (MPZ) is used to prevent emesis during chemotherapies.

Computed Properties

Molecular Weight:445.6
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:445.14938408
Monoisotopic Mass:445.14938408
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:703
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes