Parsalmide

Modify Date: 2025-08-24 21:17:40

Parsalmide Structure
Parsalmide structure
 Common Name Parsalmide
CAS Number 30653-83-9 Molecular Weight 246.30500
Density 1.107g/cm3 Boiling Point 424ºC at 760mmHg
Molecular Formula C14H18N2O2 Melting Point N/A
MSDS N/A Flash Point 210.3ºC

 Names

Name Parsalmide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.107g/cm3
Boiling Point 424ºC at 760mmHg
Molecular Formula C14H18N2O2
Molecular Weight 246.30500
Flash Point 210.3ºC
Exact Mass 246.13700
PSA 64.35000
LogP 2.78280
Index of Refraction 1.558
InChIKey DXHYQIJBUNRPJT-UHFFFAOYSA-N
SMILES C#CCOc1ccc(N)cc1C(=O)NCCCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU9060000
CHEMICAL NAME :
Benzamide, 5-amino-N-butyl-2-(2-propynyloxy)-
CAS REGISTRY NUMBER :
30653-83-9
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H18-N2-O2
MOLECULAR WEIGHT :
246.34
WISWESSER LINE NOTATION :
4MVR CZ FO2UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
864 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,145,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
428 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,145,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
148 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,145,1976

 Safety Information

HS Code 2924299090

 Synthetic Route

N-butyl-5-nitro-2-(2-propynyloxy)benzamide structure

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Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Fiorino, Ferdinando; Eiden, Martin; Giese, Armin; Severino, Beatrice; Esposito, Antonella; Groschup, Martin H.; Perissutti, Elisa; Magli, Elisa; Incisivo, Giuseppina Maria; Ciano, Antonio; Frecentese, Francesco; Kretzschmar, Hans A.; Wagner, Jens; Santagada, Vincenzo; Caliendo, Giuseppe Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 16 p. 5001 - 5011
5-acetamido-N-butyl-2-(prop-2-yn-1-yloxy)benzamide structure

5-acetamido-N-b...

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Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Caliendo, Giuseppe; Santagada, Vincenzo; Perissutti, Elisa; Severino, Beatrice; Fiorino, Ferdinando; Warner, Timothy D; Wallace, John L; Ifa, Demian Rocha; Antunes, Edson; Cirino, Giuseppe; De Nucci, Gilberto European Journal of Medicinal Chemistry, 2001 , vol. 36, # 6 p. 517 - 530
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5-Aminosalicyli...

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Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Caliendo, Giuseppe; Santagada, Vincenzo; Perissutti, Elisa; Severino, Beatrice; Fiorino, Ferdinando; Warner, Timothy D; Wallace, John L; Ifa, Demian Rocha; Antunes, Edson; Cirino, Giuseppe; De Nucci, Gilberto European Journal of Medicinal Chemistry, 2001 , vol. 36, # 6 p. 517 - 530
5-acetamido-N-butylsalicylamide structure

5-acetamido-N-b...

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Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Caliendo, Giuseppe; Santagada, Vincenzo; Perissutti, Elisa; Severino, Beatrice; Fiorino, Ferdinando; Warner, Timothy D; Wallace, John L; Ifa, Demian Rocha; Antunes, Edson; Cirino, Giuseppe; De Nucci, Gilberto European Journal of Medicinal Chemistry, 2001 , vol. 36, # 6 p. 517 - 530
N-Acetyl Mesalazine structure

N-Acetyl Mesalazine

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~%

Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Caliendo, Giuseppe; Santagada, Vincenzo; Perissutti, Elisa; Severino, Beatrice; Fiorino, Ferdinando; Warner, Timothy D; Wallace, John L; Ifa, Demian Rocha; Antunes, Edson; Cirino, Giuseppe; De Nucci, Gilberto European Journal of Medicinal Chemistry, 2001 , vol. 36, # 6 p. 517 - 530
2-Chloro-5-nitrobenzoic acid structure

2-Chloro-5-nitr...

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Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Fiorino, Ferdinando; Eiden, Martin; Giese, Armin; Severino, Beatrice; Esposito, Antonella; Groschup, Martin H.; Perissutti, Elisa; Magli, Elisa; Incisivo, Giuseppina Maria; Ciano, Antonio; Frecentese, Francesco; Kretzschmar, Hans A.; Wagner, Jens; Santagada, Vincenzo; Caliendo, Giuseppe Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 16 p. 5001 - 5011
N-Butyl-2-chloro-5-nitrobenzamide structure

N-Butyl-2-chlor...

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~%

Parsalmide Structure

Parsalmide

CAS#:30653-83-9

Literature: Fiorino, Ferdinando; Eiden, Martin; Giese, Armin; Severino, Beatrice; Esposito, Antonella; Groschup, Martin H.; Perissutti, Elisa; Magli, Elisa; Incisivo, Giuseppina Maria; Ciano, Antonio; Frecentese, Francesco; Kretzschmar, Hans A.; Wagner, Jens; Santagada, Vincenzo; Caliendo, Giuseppe Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 16 p. 5001 - 5011

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

MY-41-6
5-amino-N-butyl-2-propargyloxybenzamide
Parsal
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