Chemical identity

2-((1R,5S)-3-ethyl-6-((hydroxyamino)methyl)bicyclo[3.2.0]hept-3-en-6-yl)acetic acid

CAS not listed · C12H19NO3

01Identity

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

Lazychem IDLC-20434
PubChem CID177834974
Name2-((1R,5S)-3-ethyl-6-((hydroxyamino)methyl)bicyclo[3.2.0]hept-3-en-6-yl)acetic acid
CAS RNNot listed
Molecular formulaC12H19NO3
Molecular weight225.29 g/mol
IUPAC name2-((1R,5S)-3-ethyl-6-((hydroxyamino)methyl)bicyclo[3.2.0]hept-3-en-6-yl)acetic acid
InChIKeyJNUGXOJDAGSGQZ-UVTZGIPTSA-N

02Structure identifiers

2D structurePubChem CID 177834974
2D structure: 2-((1R,5S)-3-ethyl-6-((hydroxyamino)methyl)bicyclo[3.2.0]hept-3-en-6-yl)acetic acid
Structure of 2-((1R,5S)-3-ethyl-6-((hydroxyamino)methyl)bicyclo[3.2.0]hept-3-en-6-yl)acetic acid. LazyChem record. Source identity: PubChem CID 177834974. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H19NO3
InChIKeyJNUGXOJDAGSGQZ-UVTZGIPTSA-N
Ring count2
Defined stereocentres2
Unassigned stereocentres1
SMILESCCC1=C[C@@H]2[C@H](C1)CC2(CC(=O)O)CNO
InChIInChI=1S/C12H19NO3/c1-2-8-3-9-5-12(7-13-16,6-11(14)15)10(9)4-8/h4,9-10,13,16H,2-3,5-7H2,1H3,(H,14,15)/t9-,10-,12?/m1/s1

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres12D structure
Assignment statusPartially 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 / RCSNOT FOUND IN REVIEWED ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Mirogabalin

View API and impurity family

Other names

  • Mirogabalin Impurity 122

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