3-O-(tert-Butyldimethylsilyl)-6,14-endo-etheno-7alpha-(3-carboxy-3-n-butenyl) tetrahydrooripavine gama-Lactone

ID: ALA3038193

PubChem CID: 73352755

Max Phase: Preclinical

Molecular Formula: C31H41NO5Si

Molecular Weight: 535.76

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C=C1C[C@H]([C@H]2C[C@@]34C=C[C@]2(OC)[C@@H]2Oc5c(O[Si](C)(C)C(C)(C)C)ccc6c5[C@@]23CCN(C)[C@@H]4C6)OC1=O

Standard InChI:  InChI=1S/C31H41NO5Si/c1-18-15-22(35-26(18)33)20-17-29-11-12-31(20,34-6)27-30(29)13-14-32(5)23(29)16-19-9-10-21(25(36-27)24(19)30)37-38(7,8)28(2,3)4/h9-12,20,22-23,27H,1,13-17H2,2-8H3/t20-,22-,23-,27-,29-,30+,31-/m1/s1

Standard InChI Key:  GKSKATUWAYLQMB-PNNRCKMPSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3038193

   (5R)-5-[(1R,2S,6R,14R,15R,16R)-11-[tert-butyl(dimethyl)silyl]oxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-3-methylideneoxolan-2-one

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 535.76

Molecular Weight (Monoisotopic): 535.2754

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References

1. Klein P, Nelson WL, Yao YH, Simon EJ..  (1990)  Electrophilic alpha-methylene-gamma-lactone and isothiocyanate opioid ligands related to etorphine.,  33  (8): [PMID:2165166] [10.1021/jm00170a038]

Source

Source(1):

• Scientific Literature