Identitet

V8SCE8F48K

CAS 120705-68-2 · C21H33NO5SSi

01Identitet

Lazychem IDLC-15036
CAS RN120705-68-2
PubChem CID13880328
Molecular formulaC21H33NO5SSi
Molecular weight439.65 g/mol
IUPAC name(5R,6S)-allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChIKeyMASHLNCIEFIURF-MMMWYMCRSA-N

02Struktur og stereokemi

2D structurePubChem CID 13880328
Two-dimensional chemical structure of V8SCE8F48K, CAS 120705-68-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESC[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@@H]3CCCO3)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChIIkke angivet

03Stereochemistry

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

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Faropenem

Urenheder og beslægtede forbindelser

Navne og relationer

  • Faropenem Impurity 7
  • 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(tetrahydro-2-furanyl)-, 2-propenyl ester, [5R-[3(S*),5alpha,6alpha(R*)]]-
  • 120705-68-2
  • V8SCE8F48K
  • DTXSID501098798
  • 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(tetrahydro-2-furanyl)-, 2-propenyl ester, [5R-[3(S*),5I+/-,6I+/-(R*)]]-
  • Allyl (5R)-6-[(R)-1-[tert-butylbis(methyl)siloxy]ethyl]-7-oxo-3-[(S)-perhydro-2-furyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • allyl (5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((S)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • Prop-2-enyl (5R)-6-[(1R)-1-[tert-butyldi(methyl)silyloxy]ethyl]-3-[(2S)-dihydrofuran-2(3H)-yl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Urenheder og beslægtede forbindelser

06Kilder