Chemical identity

3-desoxy-3-carboxamidonaltrexone

CAS 421552-35-4 · C21H24N2O4

01Identity

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

Lazychem IDLC-27788
PubChem CID10021946
Name3-desoxy-3-carboxamidonaltrexone
CAS RN421552-35-4
Molecular formulaC21H24N2O4
Molecular weight368.4 g/mol
IUPAC name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide
InChIKeyQAICPHMNUHNDMC-WUHBCXKYSA-N

02Structure identifiers

2D structurePubChem CID 10021946
2D structure: 3-desoxy-3-carboxamidonaltrexone, CAS 421552-35-4
Structure of 3-desoxy-3-carboxamidonaltrexone (CAS 421552-35-4). LazyChem record. Source identity: PubChem CID 10021946. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H24N2O4
InChIKeyQAICPHMNUHNDMC-WUHBCXKYSA-N
Ring count6
Defined stereocentres4
Unassigned stereocentres0
SMILESC1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)C(=O)N)O5)O
InChIInChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1

03Stereochemistry

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

Defined stereocentres42D structure
Unassigned stereocentres02D structure
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.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 421552-35-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 421552-35-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Samidorphan

View API and impurity family

Other names

  • Samidorphan Impurity 3
  • 3-Carboxamidonaltrexone

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