Chemical identity

Docusate

CAS 10041-19-7 · C20H38O7S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

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

02Structure identifiers

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
Unassigned stereocentres3
Ring count0
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChINot listed
Formula from structureC20H38O7S
Molecular weight from structure422.6 g/mol

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 10041-19-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 10041-19-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • 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]

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources