AG008W92

Name: D-erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride (1:1)
Brand: Angene Chemical
SKU: AG008W92

11021-35-5 | D-erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride (1:1)

Chemical structure of D-erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride (1:1), CAS 11021-35-5

AG008W92

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CAS Number	11021-35-5
Catalog Number	AG008W92(AGN-PC-0WCX36)
Chemical Name	D-erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride (1:1)
IUPAC Name	(2R)-4-ethyl-N-[2-hydroxy-1-[(3R,4R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methylpyrrolidine-2-carboxamide;hydrochloride
InChI	InChI=1S/C17H32N2O6S.ClH/c1-5-9-6-10(19(3)7-9)16(24)18-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-4;/h8-15,17,20-23H,5-7H2,1-4H3,(H,18,24);1H/t8?,9?,10-,11?,12-,13-,14?,15?,17-;/m1./s1
InChI Key	MGUWHIXJDICIPX-OVKWTFAPSA-N
MDL Number	MFCD24386415
Molecular Formula	C17H33ClN2O6S
Molecular Weight	428.9717
SMILES	O=C([C@@H]1C[C@H](CN1C)CC)N[C@@H]([C@@]2([H])O[C@@H]([C@@H]([C@H]([C@H]2O)O)O)SC)[C@H](O)C.Cl
Synonyms	11021-35-5, Lincomycin B Hydrochloride, DTXSID60857931, trans-4'-Ethyllincomycin Hydrochloride, FT-0670794, (2S-trans)-Methyl 6,8-Dideoxy-6-[[(4-ethyl-1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-D-erythro-\|A-D-galactooctopyranoside MonoHydrochloride, Methyl 6,8-dideoxy-6-[(4-ethyl-1-methyl-D-prolyl)amino]-1-thio-beta-L-threo-octopyranoside--hydrogen chloride (1/1),

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	428.175g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	428.969g/mol
Monoisotopic Mass	428.175g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	5
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited