CAS 21736-83-4|Spectinomycin dihydrochloride

Introduction：Basic information about CAS 21736-83-4|Spectinomycin dihydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Spectinomycin dihydrochloride BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Spectinomycin dihydrochloride
CAS Number	21736-83-4	Molecular Weight	405.271
Density	1.43g/cm3	Boiling Point	583.1ºC at 760 mmHg
Molecular Formula	C₁₄H₂₆Cl₂N₂O₇	Melting Point	194ºC
MSDS	/	Flash Point	306.4ºC

Names

Name	spectinomycin dihydrochloride
Synonym	More Synonyms

Spectinomycin dihydrochloride BiologicalActivity

Description	Spectinomycin Dihydrochloride is a new parenteral antibiotic prepared from Streptomyces spectabilis.Target: AntibacterialSpectinomycin is an antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea. Spectinomycin binds to the 30S subunit of the bacterial ribosome and interrupts protein synthesis. One form of resistance has emerged in the 16S ribosomal RNA in Pasteurella multocida [1]. It is given by injection to treat gonorrhea, especially in patients who are allergic to penicillins. A resistance-conferring gene for spectinomycin can also be used as a selection marker in bacteria for molecular cloning purposes. Furthermore, Spectinomycin is used as a selection agent for transformed plant cells that contain the selectable marker gene Spcr [2].
Related Catalog	Signaling Pathways >>Anti-infection >>BacterialNatural Products >>OthersResearch Areas >>Infection
References	[1]. Kehrenberg, C. and S. Schwarz, Mutations in 16S rRNA and ribosomal protein S5 associated with high-level spectinomycin resistance in Pasteurella multocida. Antimicrob Agents Chemother, 2007. 51(6): p. 2244-6. [2]. http://www.toku-e.com/Upload/Products/PDS/20120518003891.pdf

Description

Spectinomycin Dihydrochloride is a new parenteral antibiotic prepared from Streptomyces spectabilis.Target: AntibacterialSpectinomycin is an antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea. Spectinomycin binds to the 30S subunit of the bacterial ribosome and interrupts protein synthesis. One form of resistance has emerged in the 16S ribosomal RNA in Pasteurella multocida [1]. It is given by injection to treat gonorrhea, especially in patients who are allergic to penicillins. A resistance-conferring gene for spectinomycin can also be used as a selection marker in bacteria for molecular cloning purposes. Furthermore, Spectinomycin is used as a selection agent for transformed plant cells that contain the selectable marker gene Spcr [2].

Related Catalog

Signaling Pathways >>Anti-infection >>BacterialNatural Products >>OthersResearch Areas >>Infection

References

[1]. Kehrenberg, C. and S. Schwarz, Mutations in 16S rRNA and ribosomal protein S5 associated with high-level spectinomycin resistance in Pasteurella multocida. Antimicrob Agents Chemother, 2007. 51(6): p. 2244-6.

[2]. http://www.toku-e.com/Upload/Products/PDS/20120518003891.pdf

Chemical & Physical Properties

Density	1.43g/cm3
Boiling Point	583.1ºC at 760 mmHg
Melting Point	194ºC
Molecular Formula	C₁₄H₂₆Cl₂N₂O₇
Molecular Weight	405.271
Flash Point	306.4ºC
Exact Mass	404.111694
PSA	129.51000
Vapour Pressure	5.05E-16mmHg at 25°C
Index of Refraction	1.586
InChIKey	FOGDPGQSHLLYIK-XYQGXRRISA-N
SMILES	CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl
Storage condition	2-8°C
Water Solubility	H2O: 50 mg/mL, clear, faintly yellow

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ0333500

CHEMICAL NAME :: 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis (methylamino)-, dihydrochloride, (2R-(2-alpha,4a-beta,5a-beta,6-beta,7-beta,8- beta,9-alpha,9a-alpha,10a-beta))-

CAS REGISTRY NUMBER :: 21736-83-4

LAST UPDATED :: 199706

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C14-H24-N2-O7.2Cl-H

MOLECULAR WEIGHT :: 405.32

WISWESSER LINE NOTATION :: T C666 BO DO GV IOTJ E1 HQ KM1 LQ MM1 NQ &GH 2

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 :: >5 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2020 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2500 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2350 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 8400 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,382,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5600 No. of Facilities: 28 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 525 (estimated) No. of Female Employees: 397 (estimated)

Safety Information

Hazard Codes	Xn
WGK Germany	2
RTECS	WG7400000
HS Code	3004909090

Customs

HS Code	3004909090

Synonyms

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, hydrochloride, hydrate (1:2:1)

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride

4H-pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, dihydrochloride

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-méthyl-6,8-bis(méthylamino)décahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dichlorhydrate

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, hydrochloride (1:2)

SPECTINOMYCIN DIHYDROCHLORIDE

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride hydrate

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