2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne

Modify Date: 2024-01-02 08:48:40

2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne structure	Common Name	2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne
	CAS Number	112290-21-8	Molecular Weight	420.91000
	Density	1.42g/cm3	Boiling Point	636ºC at 760mmHg
	Molecular Formula	C₂₀H₂₁ClN₂O₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	338.4ºC

Name	2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonyl<2,3-b>quinuclidine

Density	1.42g/cm3
Boiling Point	636ºC at 760mmHg
Molecular Formula	C₂₀H₂₁ClN₂O₄S
Molecular Weight	420.91000
Flash Point	338.4ºC
Exact Mass	420.09100
PSA	99.60000
LogP	5.00760
Vapour Pressure	4.48E-16mmHg at 25°C
Index of Refraction	1.648

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KM5847900

CHEMICAL NAME :: 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(((4-chlorophenoxy)acetyl)amino)-, ethyl ester

CAS REGISTRY NUMBER :: 112290-21-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H21-Cl-N2-O4-S

MOLECULAR WEIGHT :: 420.94

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,568,1987

Acetyl chloride,2-(4-chlorophenoxy)- structure

Acetyl chloride...

CAS#:4122-68-3

4-amino-1-aza-3-thiatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylic acid ethyl ester structure

4-amino-1-aza-3...

CAS#:36860-49-8

~85%

2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne Structure

2-(4-Chlorophen...

CAS#:112290-21-8

Literature: Kaminka, M. E.; Vorob'eva, V. Ya.; Nikitin, V. B.; Mikhlina, E. E.; Zhirnikova, M. L.; Yakhontov, L. N. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 8 p. 568 - 570 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 8 p. 945 - 948

3-QUINUCLIDINONE structure

3-QUINUCLIDINONE

CAS#:3731-38-2

~%

2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne Structure

2-(4-Chlorophen...

CAS#:112290-21-8

Literature: Kaminka, M. E.; Vorob'eva, V. Ya.; Nikitin, V. B.; Mikhlina, E. E.; Zhirnikova, M. L.; Yakhontov, L. N. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 8 p. 568 - 570 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 8 p. 945 - 948

Ethyl cyanoacetate structure

Ethyl cyanoacetate

CAS#:105-56-6

~%

2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne Structure

2-(4-Chlorophen...

CAS#:112290-21-8

Literature: Kaminka, M. E.; Vorob'eva, V. Ya.; Nikitin, V. B.; Mikhlina, E. E.; Zhirnikova, M. L.; Yakhontov, L. N. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 8 p. 568 - 570 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 8 p. 945 - 948