AG00I47Z

21736-83-4 | 4H-PYRANO[2,3-B][1,4]BENZODIOXIN-4-ONE,DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-,DIHYDROCHLORIDE, (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-

AG00I47Z

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CAS Number	21736-83-4
Catalog Number	AG00I47Z(AGN-PC-0QYB13)
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,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-
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
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
InChI Key	FOGDPGQSHLLYIK-XYQGXRRISA-N
MDL Number	MFCD00150886
Molecular Formula	C14H26Cl2N2O7
Molecular Weight	405.2714
SMILES	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	296JEI210Z
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, 21736-83-4, actinospectacin, Spectinomycin hydrochloride, Spectinomycin HCl, Spectinomycin 2HCl, Spectinomycin (dihydrochloride), Spectinomycin dihydrochloride pentahydrate, CHEBI:9216, Spectinomycin hydrochloride anhydrous, EN300-74585, DSSTox_CID_25429, DSSTox_RID_80873, DSSTox_GSID_45429, 22189-32-8, UNII-296JEI210Z, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one dihydrochloride, Spectinomycin hydrochloride hydrate, 296JEI210Z, (+)-Spectinomycin Dihydrochloride, SR-05000001868, AK115166, Prestwick_106, NCGC00016754-01, Spectinomycin-hydrochloride, CAS-21736-83-4, SCHEMBL184452, SPECTRUM1500538, AC1L21U2, CHEMBL3184600, DTXSID9045429, FOGDPGQSHLLYIK-XYQGXRRISA-N, HMS1570B09, HMS1920P22, HY-B0438, Tox21_110592, CCG-39253, s2510, AKOS016010051, Tox21_110592_1, API0004215, CS-2544, NE47662, NCGC00017354-07, CC-34517, AB2000613, AX8151790, S0584, ST24049298, (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 Hydrochloride, C11619, C-21807, SR-05000001868-3, SR-05000001868-5, W-107526, Spectinomycin hydrochloride, Antibiotic for Culture Media Use Only, (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0?,?]tetradecan-7-one 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, (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, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, null, Spectinomycin, Spectogard, UNII-HWT06H303Z, SPECTINOMYCINDIHYDROCHLORIDE, CID64740, Spectinomycin dihydrochloride hydrate, C14H24N2O7.2ClH.5H2O, MFCD00150886, Togamycin dihydrochloride pentahydrate, CS-O-14587, U 18,400AE, Spectinomycin hydrochloride [USAN:JAN], Actinospectacin dihydrochloride pentahydrate, Espectinomicina dihydrochloride pentahydrate, B3342, C14-H24-N2-O7.2Cl-H.5H2-O, M 141, Spectinomycin hydrochloride [USAN:USP:JAN], (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, hydrochloride (1:2), 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.)]-, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one dihydrochloride pentahydrate,

Complexity	478
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	404.112g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	405.269g/mol
Monoisotopic Mass	404.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number