Chemical identity

(5R)-tert-Buty Edoxaban

CAS 1255529-33-9 · C21H30ClN5O5

01Identity

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

Lazychem IDLC-00388
PubChem CID66776724
Name(5R)-tert-Buty Edoxaban
CAS RN1255529-33-9
Molecular formulaC21H30ClN5O5
Molecular weight467.95 g/mol
IUPAC nametert-Butyl ((1S,2R,5R)-2-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)-5-(dimethylcarbamoyl)cyclohexyl)carbamate
InChIKeyYJDLJNAWLBVIRF-YUELXQCFSA-N

02Structure identifiers

2D structurePubChem CID 66776724
Two-dimensional chemical structure of (5R)-tert-Buty Edoxaban, CAS 1255529-33-9
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, contains at least one halogen atom. 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)C(=O)NC2=NC=C(C=C2)Cl)C(=O)N(C)C
InChINot listed
Formula from structureC21H30ClN5O5
Molecular weight from structure467.95 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

2 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 1255529-33-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1255529-33-9 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

  • (5R)-tert-Butyl Edoxaban
  • 1255529-33-9
  • SCHEMBL715126
  • YJDLJNAWLBVIRF-YUELXQCFSA-N
  • Edoxaban Impurity 37 (1R,2S,4R)
  • tert-Butyl ((1S,2R,5R)-2-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)-5-(dimethylcarbamoyl)cyclohexyl)carbamate
  • (1S,2R,5R)-2-({2-[(5-Chloropyridin-2-yl)amino]-2-oxoacetyl}amino)-5-[(dimethylamino)carbonyl]cyclohexylcarbamic acid tert-butyl ester

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