Mertansine Impurity 4

cas: 72902-38-6 — see every product listed under this CAS number, including other names

Mertansine Impurity 4 (CAS 72902-38-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number73204M-10mg
cas72902-38-6
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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properties

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Structural formula: {0} (CAS {1})

[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-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] 2-methylpropanoate (CAS 72902-38-6) is a chemical compound with the molecular formula C31H41ClN2O9 and a molecular weight of 621.1 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-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] 2-methylpropanoate. InChIKey: YQVKSZNVVCIETH-AJWAOHEYSA-N.

Identity
Molecular formulaC31H41ClN2O9
Molecular weight621.1 g/mol
IUPAC name[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-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] 2-methylpropanoate
InChIKeyYQVKSZNVVCIETH-AJWAOHEYSA-N
SMILESC[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)O)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)

Synonyms: ANSAMITOCIN DERIV
Isomers (same molecular formula)
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-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] 2-methylpropanoate C31H41ClN2O9

Also listed as

20–O–Demethyl–AP3 GLPBio CAS 72902-38-6
PDM-3, 95%, 95% Chemat CAS 72902-38-6
20-O-Demethyl-AP3 MedChemExpress CAS 72902-38-6