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Promethazine theoclate

Promethazine theoclate structure

CAS No:
17693-51-5
Formula:
C17H20N2S.C7H7ClN4O2
Chemical Name:
Promethazine theoclate
Synonyms:
1H-Purine-2,6-dione,8-chloro-3,9-dihydro-1,3-dimethyl-,compd. with N,N,α-trimethyl-10H-phenothiazine-10-ethanamine (1:1);Theophylline,8-chloro-,compd. with 10-[2-(dimethylamino)propyl]phenothiazine (1:1);1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-,compd. with N,N,α-trimethyl-10H-phenothiazine-10-ethanamine (1:1);Theophylline,8-chloro-,compd. with 10-(2-dimethylaminopropyl)phenothiazine;Phenothiazine,10-[2-(dimethylamino)propyl]-,compd. with 8-chlorotheophylline (1:1);10H-Phenothiazine-10-ethanamine,N,N,α-trimethyl-,compd. with 8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1);Promethazine 8-chlorotheophyllinate;Avomine;Promethazine theoclate;Promethazine teoclate
Categories:
Active Pharmaceutical Ingredients > Antiallergic Drugs

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Description

Promethazine teoclate is a member of phenothiazines.

Promethazine theoclate Basic Attributes

Molecular Weight：

499.036

Exact Mass：

498.16000

EC Number：

241-691-0

Characteristics

PSA：

101

XLogP3：

3.91810

Boiling Point：

403.7ºC at 760 mmHg

Flash Point：

198ºC

Vapor Pressure：

9.96E-07mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3249

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P333+P313, P363, P391, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Promethazine theoclate Use and Manufacturing

Histamine H1 receptor antagonist; antihistamine.

Computed Properties

Molecular Weight:499.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:498.1604730
Monoisotopic Mass:498.1604730
Topological Polar Surface Area:101
Heavy Atom Count:34
Complexity:596
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes