Azonosítás

Docetaxel Impurity

Nincs megadva · C43H51NO14

01Azonosítás

Lazychem IDLC-37832
CAS RNNincs megadva
PubChem CID72747377
Molecular formulaC43H51NO14
Molecular weight805.9 g/mol
IUPAC name[4-acetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyZOLQDWANVNOXBK-UHFFFAOYSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 72747377
Two-dimensional chemical structure of Docetaxel Impurity
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count6
Secondary amines0
Tertiary amines0
SMILESCC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
InChINincs megadva

03Stereochemistry

The published structure contains 0 defined and 10 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres10Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

4 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

API és anyavegyület

Nincs megadva

Nevek és kapcsolatok

    Szennyezők és rokon vegyületek

      06Források