Spectinomycin dihydrochloride

CAT: 0127-BUP18847-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP18847-01Size:200 mg

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CAS Number

21736-83-4

Synonyms

Spectinomycin 2HCl, Actinospectacin

Purity

=98%

Smiles

Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O

Chemical Information

Spectinomycin Dihydrochloride

Spectinomycin dihydrochloride is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It contains a spectinomycin(2+).

CAS Number	21736-83-4
PubChem CID	64740
IUPAC Name	(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;dihydrochloride
Molecular Formula	C14H26Cl2N2O7
Molecular Weight	405.3
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	478

SMILES

C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.Cl.Cl

InChI

InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1

InChIKey

FOGDPGQSHLLYIK-XYQGXRRISA-N

Chemical Structure

2D Structure

CAS: 21736-83-4

CID: 64740

Formula: C14H26Cl2N2O7

MW: 405.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	405.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	404.1117066
Monoisotopic Mass	404.1117066
Topological Polar Surface Area	130 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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MBS3603476-01	Spectinomycin dihydrochloride
HY-B0438-01	Spectinomycin (dihydrochloride)
41910000-1	Spectinomycin Dihydrochloride Pentahydrate
HY-B1828A-01	Spectinomycin (dihydrochloride pentahydrate)
HY-B0438R-01	Spectinomycin (dihydrochloride) (Standard)

Spectinomycin dihydrochloride

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