Chemical identity

Benzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)dicarbamate

CAS 365998-35-2 · C22H33N3O5

01Identity

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

Lazychem IDLC-07987
PubChem CID57416170
NameBenzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)dicarbamate
CAS RN365998-35-2
Molecular formulaC22H33N3O5
Molecular weight419.52 g/mol
IUPAC nameBenzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)dicarbamate
InChIKeyBHLRESHKGHNBEV-OKZBNKHCSA-N

02Structure identifiers

2D structurePubChem CID 57416170
Two-dimensional chemical structure of Benzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)dicarbamate, CAS 365998-35-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)OCC2=CC=CC=C2)C(=O)N(C)C
InChINot listed
Formula from structureC22H33N3O5
Molecular weight from structure419.52 g/mol

03Stereochemistry

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

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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 365998-35-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 365998-35-2 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

Edoxaban

View API and impurity family

Other names

  • Carbamic acid, N-[(1R,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]-, phenylmethyl Ester
  • Benzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)biscarbamate
  • 365998-35-2
  • DTXSID30725850
  • RefChem:1079483
  • DTXCID30676595
  • benzyl N-[(1S,2R,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-(dimethylcarbamoyl)cyclohexyl]carbamate
  • Benzyl tert-butyl ((1S,2R,4S)-4-(dimethylcarbamoyl)cyclohexane-1,2-diyl)dicarbamate
  • MFCD22190576
  • benzyl N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
  • Carbamic acid,[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]-, phenylmethyl ester
  • tert-Butyl N-[(1R,2S,5S)-2-(benzyloxycarbonylamino)-5-(dimethylcarbamoyl)cyclohexyl]carbamate

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