Chemical identity

Dorzolamide N-Sulfonamide Dimer

CAS 199734-72-0 · C20H29N3O8S6

01Identity

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

Lazychem IDLC-13443
PubChem CID102347336
NameDorzolamide N-Sulfonamide Dimer
CAS RN199734-72-0
Molecular formulaC20H29N3O8S6
Molecular weight631.85 g/mol
IUPAC name(4R,6R)-rel-4-(Ethylamino)-N-[[(4S,6S)-4-(ethylamino)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
InChIKeyOTVNOYKKKXGTOL-APYUEPQZSA-N

02Structure identifiers

2D structurePubChem CID 102347336
Two-dimensional chemical structure of Dorzolamide N-Sulfonamide Dimer, CAS 199734-72-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count4
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESCCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@H](C[C@@H]4NCC)C)C
InChINot listed
Formula from structureC20H29N3O8S6
Molecular weight from structure631.85 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Dorzolamide N-Sulfonamide Dimer with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Dorzolamide N-Sulfonamide Dimer, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C20H28N4O9S6
Candidate SMILES
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)NS(=O)(=O)c3cc4c(s3)S(=O)(=O)[C@@H](C)C[C@@H]4N(CC)N=O)cc21

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India 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 199734-72-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 199734-72-0 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.

06Names and relationships

Associated parent compound

Dorzolamide

View API and impurity family

Other names

  • Dorzolamide N-Sulfonamide Dimer
  • 199734-72-0
  • (4R,6R)-rel-4-(Ethylamino)-N-[[(4S,6S)-4-(ethylamino)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide

Related records from the same parent family

07Documented 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.

08Sources