AG00I31M

19408-46-9 | D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-, monohydrochloride

AG00I31M

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CAS Number	19408-46-9
Catalog Number	AG00I31M(AGN-PC-0QMLVK)
Chemical Name	D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-, monohydrochloride
EC Number	606-307-1
IUPAC Name	2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride
InChI	InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1
InChI Key	ZDRBJJNXJOSCLR-YZKQBBCCSA-N
MDL Number	MFCD00058459
Molecular Formula	C14H26ClN3O9
Molecular Weight	415.8239
SMILES	O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]2[C@@H](N)C[C@H](NC(C(O)=O)=N)[C@@H](C)O2.Cl
UNII	SXA18D440T
Synonyms	3-O-(2-amino-4((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-D-chiroinositol, kasugamycin, kasugamycin hydrochloride, kasugamycin monohydrochloride, kasugamycin, phosphate salt, kasugamycin, sulfate salt, Kasugamycin hydrochloride, Kasumin, 19408-46-9, UNII-SXA18D440T, Kasugamycin, monohydrochloride, SXA18D440T, MFCD00058459, Kasugamycin monohydrochloride, D-chiro-Inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-, monohydrochloride, C14H25N3O9.HCl, Kasugamycin hydrochloride hydrate, 2-(((2R,3S,5S,6R)-5-Amino-2-methyl-6-(((1R,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3-yl)amino)-2-iminoacetic acid hydrochloride, 3-O-[2-Amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-D-arabino-hexopyranosyl]-D-chiro-inositol, SR-05000001429, kasugamycin-hydrochloride, AC1L3EXB, DSSTox_CID_20739, DSSTox_RID_79582, DSSTox_GSID_40739, SCHEMBL120126, SPECTRUM1505038, CHEMBL3186853, DTXSID2040739, ZDRBJJNXJOSCLR-YZKQBBCCSA-N, HMS1923C17, Tox21_302236, CCG-214366, Kasugamycin hydrochloride, Antibiotic for Culture Media Use Only, NCGC00164389-01, NCGC00255614-01, AS-13793, LS-84034, CAS-19408-46-9, Y1683, J10330, 980K183, Q-201265, SR-05000001429-2, Kasugamycin hydrochloride from Streptomyces kasugaensis, Kasugamycin hydrochloride, VETRANAL(TM), analytical standard, Kasugamycin hydrochloride from Streptomyces kasugaensis, >=90% (HPLC), 2-[[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-2-iminoacetic acid;hydrochloride, 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid hydrochloride, D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-, monohydrochloride, Kasugamycin HCl, KASUGAMYCIN, C14H25N3O9.ClH, 2,4,6-triiodobenzene-1,3-diol, CID88045, C14-H25-N3-O9.Cl-H, 6980-18-3, D-chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-.alpha.-D-arabino-hexopyranosyl]-, monohydrochloride,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	415.136g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	415.824g/mol
Monoisotopic Mass	415.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	221A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number