Chemical identity

Tert-Butyl ((1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate

CAS 2081883-57-8 · C14H27N3O3

01Identity

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

Lazychem IDLC-13759
PubChem CID99880624
NameTert-Butyl ((1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate
CAS RN2081883-57-8
Molecular formulaC14H27N3O3
Molecular weight285.39 g/mol
IUPAC nametert-Butyl ((1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate
InChIKeyJCHIBKSSZNWERE-OUAUKWLOSA-N

02Structure identifiers

2D structurePubChem CID 99880624
Two-dimensional chemical structure of Tert-Butyl ((1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate, CAS 2081883-57-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N)C(=O)N(C)C
InChINot listed
Formula from structureC14H27N3O3
Molecular weight from structure285.39 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

8 records

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.

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 2081883-57-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2081883-57-8 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

  • Edoxaban Impurity 55 (1R,2S,5R) / Tert-Butyl ((1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate
  • Edoxaban Impurity 55 (1R,2S,5R)
  • Tert-Butyl ((1R, 2S, 5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate
  • 2081883-57-8
  • tert-butyl N-[(1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
  • Edoxaban Impurity 36
  • SCHEMBL31084797

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