Identitet

Docusate

CAS 10041-19-7 · C20H38O7S

01Identitet

Lazychem IDLC-100920
CAS RN10041-19-7
PubChem CID11339
Molecular formulaC20H38O7S
Molecular weight422.6 g/mol
IUPAC name1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
InChIKeyHNSDLXPSAYFUHK-UHFFFAOYSA-N

02Struktura i stereokemija

2D structurePubChem CID 11339
Two-dimensional chemical structure of Docusate, CAS 10041-19-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChINije navedeno

03Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres3Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Status u Indiji

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

05Nazivi i povezanosti

API i matični lijek

Nije navedeno

Nazivi i povezanosti

  • DOCUSATE
  • Docusate hydrogen
  • 10041-19-7
  • Spolion 8
  • Diocto
  • Dioctylsulfosuccinsaeure
  • Docusates
  • DIOCTYLSULFOSUCCINATE
  • M7P27195AG
  • DTXSID1044279
  • Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester
  • 1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC]

Nečistoće i srodni spojevi

    06Izvori