AG00I4D6

22189-32-8 | 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-

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CAS Number	22189-32-8
Catalog Number	AG00I4D6(AGN-PC-0QYTHE)
Chemical Name	4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-
EC Number	606-950-8
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;pentahydrate;dihydrochloride
InChI	InChI=1S/C14H24N2O7.2ClH.5H2O/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;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1
InChI Key	DCHJOVNPPSBWHK-UXXUFHFZSA-N
MDL Number	MFCD00150886
Molecular Formula	C14H36Cl2N2O12
Molecular Weight	495.3478
SMILES	O.O.O.O.O.Cl.Cl.O[C@]12[C@H](O[C@H]3[C@H](O1)[C@H]([C@H]([C@H]([C@@H]3O)NC)O)NC)O[C@@H](CC2=O)C
UNII	HWT06H303Z
Synonyms	Actinospectacin, Adspec, Ferkel Spectam, Kempi, Prospec, Salmosan T, Salmosan-T, Spectam, Spectam, Ferkel, Spectinomycin, Spectinomycin Dihydrochloride, Anhydrous, Spectinomycin Dihydrochloride, Pentahydrate, Spectinomycin Hydrochloride, Stanilo, Trobicin, Spectinomycin dihydrochloride pentahydrate, 22189-32-8, Trobicin, Spectogard, Spectinomycin HCl, Spectinomycin hydrochloride, Spectam, UNII-HWT06H303Z, Togamycin dihydrochloride pentahydrate, MFCD00150886, Trobicin (TN), U 18,400AE, Espectinomicina dihydrochloride pentahydrate, Actinospectacin dihydrochloride pentahydrate, Spectinomycin, dihydrochloride, pentahydrate, HWT06H303Z, M 141, U-18,409AE, AK154005, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one dihydrochloride pentahydrate, Spectinomycin, Dihydrochloride, Pentahydrate, Streptomyces sp., 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, pentahydrate, Spectinomycin hydrochloride hydrate, U-18409AE, M-141, C14H24N2O7.2HCl.5H2O, Spectinomycin hydrochloride [USAN:JAN], AC1L1KNS, Spectinomycin hydrochloride [USAN:USP:JAN], CHEBI:9217, C14H36Cl2N2O12, CHEMBL3989571, BIS0147, Spectinomycin hydrochloride (USP), ZX-AFC000697, AKOS008145409, API0010111, DS-7849, AB1009396, AX8289473, LS-145725, Spectinomycin hydrochloride hydrate (JP17), ST2407582, D00869, J-014576, Spectinomycin dihydrochloride pentahydrate, >=98.0% (AT), Spectinomycin dihydrochloride pentahydrate, Cell Culture Grade, Spectinomycin dihydrochloride pentahydrate, powder, gamma-irradiated, Spectinomycin dihydrochloride pentahydrate, potency: >=603 mug per mg, Spectinomycin dihydrochloride pentahydrate, powder, BioReagent, suitable for cell culture, Spectinomycin dihydrochloride pentahydrate, VETRANAL(TM), analytical standard, Spectinomycin hydrochloride, United States Pharmacopeia (USP) Reference Standard, (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 pentahydrate, (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--water (1/5), (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium dichloride--water (1/5), (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-Pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride pentahydrate, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-, Spectinomycin dihydrochloride pentahydrate, Biotechnology Performance Certified, cell culture tested, null, SPECTINOMYCINDIHYDROCHLORIDE, CID30971, C14H24N2O7.2ClH.5H2O, CS-O-14998, C14-H24-N2-O7.2Cl-H.5H2-O, Spectinomycin Dihydrochloride pentahydrate Sterile/Non-Sterile, Spectinomycin dihydrochloride pentahydrate, >/=779 u/mg - 25G 25g, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, pentahydrate, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, pentahydrate, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-,

Complexity	478
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	8
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	494.165g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	12
Isotope Atom Count	0
Molecular Weight	495.344g/mol
Monoisotopic Mass	494.165g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number