Chemical identity

Sugammadex Sulfoxide Diastereomer-1

CAS 2412953-11-6 · C72H112O49S8

01Identity

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

Lazychem IDLC-28528
PubChem CID170901252
NameSugammadex Sulfoxide Diastereomer-1
CAS RN2412953-11-6
Molecular formulaC72H112O49S8
Molecular weight2018.1 g/mol
IUPAC nameHeptakis (6-S- (2-carboxyethyl) -6-thio) -mon (6-S- (2-carboxyethyl) - (R ) -sulfinyl) cyclomaltooctaose
InChIKeyUDOKSJKXWJNGPK-RUICMMCSSA-N

02Structure identifiers

2D structurePubChem CID 170901252
Two-dimensional chemical structure of Sugammadex Sulfoxide Diastereomer-1, CAS 2412953-11-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 30 rings, includes aliphatic carbon, has 38 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres38
Unassigned stereocentres3
Ring count30
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H](C([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H](C8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CS(=O)CCC(=O)O)CSCCC(=O)O)O)O)C(=O)O
InChINot listed
Formula from structureC72H112O49S8
Molecular weight from structure2018.1 g/mol

03Stereochemistry

The published structure contains 38 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres38Structure assigned
Unassigned centres3Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound2^41Before 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 2412953-11-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2412953-11-6 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

Sugammadex

View API and impurity family

Other names

  • Peroxide Degradation Impurity-1
  • Sugammadex Diastereomer 1 Sulfoxide
  • 2412953-11-6
  • FS183569

Related records from the same parent family

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