AG00IDT6

859-18-7 | D-erythro-a-D-galacto-Octopyranoside, methyl6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride

AG00IDT6

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CAS Number	859-18-7
Catalog Number	AG00IDT6(AGN-PC-0V2HLV)
Chemical Name	D-erythro-a-D-galacto-Octopyranoside, methyl6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride
IUPAC Name	(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
InChI	InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1
InChI Key	POUMFISTNHIPTI-BOMBIWCESA-N
MDL Number	MFCD00167245
Molecular Formula	C18H35ClN2O6S
Molecular Weight	442.9983
SMILES	CN1[C@H](C(N[C@@]([H])([C@@]2([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)=O)C[C@@H](CCC)C1.Cl
UNII	GCW8Y9936L
Synonyms	Epilincomycin, Hemihydrate Lincomycin Monohydrochloride, Lincocin, Lincolnensin, Lincomycin, Lincomycin A, Lincomycin Hydrochloride, Lincomycin Monohydrochloride, Lincomycin Monohydrochloride, (2S-cis)-Isomer, Lincomycin Monohydrochloride, (L-threo)-Isomer, Lincomycin Monohydrochloride, Hemihydrate, Lincomycin, (2S-cis)-Isomer, Lincomycin, (L-threo)-Isomer, Lincomycin hydrochloride, LINCOMYCIN HCL, 859-18-7, Frademicina, Lincomycin (hydrochloride), 7179-49-9, UNII-GCW8Y9936L, Lincocin Hydrochloride, C18H34N2O6S.HCl, Lincocin, Lincogap, Lincomix, GCW8Y9936L, Lincomix 20, Mycivin, Pura Ject 100, NCGC00159326-02, Lincolnensin, hydrochloride, NSC 70731, DSSTox_CID_27780, DSSTox_RID_82556, DSSTox_GSID_47803, Antibiotic 124a, hydrochloride, Lincomycin hydrochloride anhydrous, EINECS 212-726-7, MFCD00083647, U 10149a, (2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride, (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide hydrochloride, CAS-859-18-7, Lincomycin HCl (Lincocin), EC 212-726-7, AC1L21SE, SCHEMBL192964, CHEMBL1201097, DTXSID7047803, CTK8B3221, HY-B0417A, Lincocin Hydrochloride Monohydrate, Lincomycin-hydrochloride(Lincocin), POUMFISTNHIPTI-BOMBIWCESA-N, D-erythro-alpha-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-((((2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, monohydrochloride, D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, trans-alpha-, Methyl (2S-trans)-6,8-dideoxy-6-(((1-methyl-4-propylpyrrolidin-2-yl)carbonyl)amino)-1-thio-D-erythro-alpha-D-galacto-octopyranoside monohydrochloride, Tox21_111575, ANW-42016, AKOS024375415, Tox21_111575_1, CCG-220302, CS-2521, U10149A, NCGC00159326-03, AN-15758, AN-20542, AS-13720, Lincomycin hydrochloride, >=90% (TLC), Lincomycin hydrochloride, >=95.0% (TLC), LS-174366, TR-031563, L0166, ST51016093, A-7633, J10175, 859L187, Lincomycin hydrochloride, BioReagent, suitable for cell culture, Lincomycin hydrochloride, British Pharmacopoeia (BP) Reference Standard, (2s,4r)-N-[(1r,2r)-2-hydroxy-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboximidic acid hydrochloride, (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride, D-erythro-alpha-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, monohydrochloride, (2S-trans)- (9CI), Methyl 6,8-dideoxy-6-(1-methyl-4-propyl-2-pyrrolidinecarboxamido)-1-thio-D-erythro-|A-D-galactooctopyranoside hydrochloride, N-[(1R,2R)-1-((4S,2R,3R,5R,6R)-3,4,5-trihydroxy-6-methylthio(2H-3,4,5,6-tetrah ydropyran-2-yl))-2-hydroxypropyl]((2S,4R)-1-methyl-4-propylpyrrolidin-2-yl)car boxamide, chloride, lincomycin, Lincomycin soluble, lincomycin HCl salt, C18H34N2O6S.ClH, Lincomycin hydrochloride monohydrate, UNII-M6T05Z2B68, CCRIS 9080, Lincomycin, hydrochloride hydrate, C18H34N2O6S.ClH.H2O, CID64710, Lincomycin hydrochloride [USP:JAN], Lincomycin hydrochloride [USAN:JAN], C18-H34-N2-O6-S.Cl-H, H021, C18-H34-N2-O6-S.Cl-H.H2-O, 154-21-2, (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride, (2S,4R)-N-{(1S)-2-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-2-pyranyl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide Hydrochloride, D-eritro-alfa-D-galacto-Octopiranosido, metil 6,8-didesoxi-6-[[[(2S, 4R)-1-metil-4-propil-2-pirrolidinil] carbonil] amino]-1-tio-,clorhidrato de (1:1), D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-trans)-, D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, monohydrate, (2S-trans)-, D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride, D-erythro-?-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[(1-methyl- 4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-trans)-, D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, monohydrate,trans- .alpha.-, D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, trans- .alpha.-, Methyl (2S-trans)-6,8-dideoxy-6-[[(1-methyl-4-propylpyrrolidin-2-yl)carbonyl]amino]-1-thio-D-erythro-alpha-D-galacto-octopyranoside monohydrochloride, Methyl 6,8-dideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-D-erythro-alpha-D-galacto-octopyranoside monohydrochloride monohydrate,

Complexity	499
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	442.19g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	442.996g/mol
Monoisotopic Mass	442.19g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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