Mertansine Impurity 2

cas: 905449-88-9 — see every product listed under this CAS number, including other names

Mertansine Impurity 2 (CAS 905449-88-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number73202M-10mg
cas905449-88-9
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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properties

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[(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[3-[[(2S)-1-[[(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]propanoyl-methylamino]propanoate (CAS 905449-88-9) is a chemical compound with the molecular formula C70H94Cl2N6O20S2 and a molecular weight of 1474.6 g/mol. IUPAC name: [(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[3-[[(2S)-1-[[(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]propanoyl-methylamino]propanoate. InChIKey: RIQRXIUWYVMFRR-FDUNUCGGSA-N.

Identity
Molecular formulaC70H94Cl2N6O20S2
Molecular weight1474.6 g/mol
IUPAC name[(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[3-[[(2S)-1-[[(1S,2R,3R,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]propanoyl-methylamino]propanoate
InChIKeyRIQRXIUWYVMFRR-FDUNUCGGSA-N
SMILESC[C@H]1[C@H]2O[C@]2([C@H](CC(=O)N(C3=C(C(=CC(=C3)C/C(=C\C=C/[C@H]([C@@]4(NC(=O)O[C@H]1C4)O)OC)/C)OC)Cl)C)OC(=O)[C@@H](N(C(=O)CCSSCCC(=O)N([C@H](C(=O)O[C@@H]5[C@@]6(O[C@@H]6[C@@H]([C@H]7OC(=O)N[C@](C7)([C@@H](/C=C\C=C(/CC8=CC(=C(C(=C8)OC)Cl)N(C(=O)C5)C)\C)OC)O)C)C)C)C)C)C)C

Computed by PubChem (NCBI)

Synonyms: N2',N2'''-[Dithiobis(1-oxo-3,1-propanediyl)]bis[N2'-deacetyl- maytansine

Also listed as

N2',N2'''-(Dithiobis(1-oxo-3,1-propanediyl))bis(N2'-deacetyl- maytansine, >95% (HPLC) TRC CAS 905449-88-9