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Daltroban

Daltroban structure

CAS No:
79094-20-5
Formula:
C16H16ClNO4S
Chemical Name:
Daltroban
Synonyms:
SKF-96148;4-[2-[(4-CHLOROPHENYLSULFONYL)AMINO]ETHYL]BENZENEACETIC ACID;2-[4-[2-(4-chlorophenyl)sulfonylaminoethyl]phenyl]acetic acid;BM-13505;DALTROBAN;DatelliptiumChloride;4-[2-[(4-Chlorophenylsulfonyl)amino]ethyl]benzeneaceticacid,BM-13505,SKF-96148;4-[2-(4-Chlorobenzene-sulfonamido)ethyl]benzeneacetic acid
Categories:
Active Pharmaceutical Ingredients > Blood System Drugs

Description

Daltroban (BM-13505) is a selective and specific thromboxane A2 (TXA2) receptor antagonist. Daltroban increase intracellular calcium in vascular smooth muscle cells. Daltroban shows protective effect in reperfusion injury[1][2].

Daltroban Basic Attributes

Molecular Weight：

353.82

Exact Mass：

353.04900

UNII：

S25VDY08ZC

DSSTox ID：

DTXSID6046501

Characteristics

PSA：

91.8

XLogP3：

3.95980

Appearance：

white

Density：

1.378g/cm3

Melting Point：

132.5-137.4 °C(lit.)

Boiling Point：

555.3ºC at 760 mmHg

Flash Point：

289.6ºC

Refractive Index：

1.609

Water Solubility：

DMSO: 22 mg/mL, soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)|Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

MeSH Entry Terms：

4-(2-(4-chlorobenzenesulfonylamino)ethyl)benzeneacetic acid

Daltroban Use and Manufacturing

It is a specific and powerful antagonist of thromboxane A2 receptor, which can inhibit platelet aggregation, affect thrombosis and prevent sudden death. It is used to treat myocardial ischemia, hemorrhagic shock, endotoxic shock, sudden cardiopulmonary death, acute renal failure, atherosclerosis, etc.

Computed Properties

Molecular Weight:353.8
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:353.0488569
Monoisotopic Mass:353.0488569
Topological Polar Surface Area:91.8
Heavy Atom Count:23
Complexity:475
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Potassium carbonate

Ethanol