Spectinomycin Sulfate

HCID 64771

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Basic information

CAS: 23312-56-3
Standard SMILES: CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.O=S(=O)(O)O
InChIKey: XGBFWQUQYQIFLB-MTTMTQIXSA-N
Molecular formula: C14H26N2O11S
Average molar mass: 430.43 g/mol
Monoisotopic mass: 430.12573065

Overview

Spectinomycin Sulfate is the sulfate salt form of spectinomycin, an aminocyclitol aminoglycoside antibiotic derived from Streptomyces spectabilis with bacteriostatic activity. Spectinomycin binds to the bacterial 30S ribosomal subunit. As a result, this agent interferes with the initiation of protein synthesis and with proper protein elongation. This eventually leads to bacterial cell death.

Names & identifiers

Preferred name: Spectinomycin Sulfate
IUPAC: sulfuric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
English name: SPECTINOMYCIN SULFATE
Molecular formula: C14H26N2O11S
Molecular weight: 430.43

Names & synonyms

Spectinomycin sulfate23312-56-3Spectinomycin sulphateUNII-BZ0H4TLF9XBZ0H4TLF9XEINECS 245-578-7ACTINOSPECTACIN SULFATEACTINOSPECTACIN SULPHATE(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE4H-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)-, SULFATE (1:1)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)-, SULPHATE (1:1)

Show more names

U-18409EPubChem ID: 64771U 18409E, ANTIBIOTICSpectacular mycin sulfateSpectinomycin HCl & SulphateC16972720 Spectinomycin sulfate

4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, SULFATE (1:1) (SALT)4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, SULPHATE (1:1) (SALT)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)-, sulfate (1:1) (salt)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)-, sulfate (1:1) (salt)RefChem:184583(2R-(2ALPHA,4ABETA,5ABETA,6BETA,7BETA,8BETA,9ALPHA,9AALPHA,10ABETA))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE(2R-(2ALPHA,4ABETA,5ABETA,6BETA,7BETA,8BETA,9ALPHA,9AALPHA,10ABETA))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATETrobicin

Database identifiers

CAS: 23312-56-3
PubChem CID: 64771
DTXSID: DTXSID40945986
ChEMBL: CHEMBL1969020
UNII: BZ0H4TLF9X
EC Number: 245-578-7

Properties

Computed structural properties

Topological polar surface area: 212 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 13
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 559

Physicochemical properties

Boiling point: 583 ℃ · 583℃
Flash point: 110 ° · >110°(230°F)
storage temp.: 0 · Store at0-5°C
form: Powder
Water Solubility: Soluble in DMSO or water
CAS DataBase Reference: 23312 · 23312-56-3
FDA UNII: 0 H4TLF9X · BZ0H4TLF9X
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 317 · H317-H334
Precautionary statements: 261 · P261-P280g-P284-P304+P340-P342+P311a-P501a
WGK Germany: 3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationSpectinomycin sulfate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information · 1 item

IMAP assessments - 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-, sulfate (1:1) (salt): Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS08
Hazard statements: H317-H334
Precautionary statements: P261-P280g-P284-P304+P340-P342+P311a-P501a

Chemistry & industry

Applications

UsesTargets Gram-negative bacteria

Suppliers32 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北金梭生物科技有限公司00123456789 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

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Compound notes

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