Docetaxel EP Impurity B

01Identitet

Lazychem ID	LC-40914
CAS RN	Ikke angivet
PubChem CID	46782641
Molecular formula	C43H51NO14
Molecular weight	805.9 g/mol
IUPAC name	[(1S,3R,4S,7R,9S,10S)-4-acetyloxy-1,9-dihydroxy-15-[(3S)-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
InChIKey	ZOLQDWANVNOXBK-IXVZKRQZSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Docetaxel EP Impurity B — 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, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C2C(=O)C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3C([C@@](C2(C)C)(CC1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
InChI	Ikke angivet

03Stereochemistry

The published structure contains 7 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact 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.

CAS not listed

ZOLQDWANVNOXBK-IXVZKRQZSA-N

Current configuration