01
Ingredients
(3s,3's,8s,9r,9ar)-8-methoxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
C19H29NO5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,3's,8s,9r,9ar)-8-methoxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
- Molecular Formula
- C19H29NO5
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(OC1=O)C2CCC3N2CCCC(C34CC(C(=O)O4)C)OC
- Isomeric SMILES
- C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@H]3N2CCC[C@@H]([C@@]34C[C@@H](C(=O)O4)C)OC
- InChI
- InChI=1S/C19H29NO5/c1-11-9-14(24-17(11)21)13-6-7-15-19(10-12(2)18(22)25-19)16(23-3)5-4-8-20(13)15/h11-16H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16-,19+/m0/s1
- Oral Bioavailability
- 13.145
- Drug Likeness
- 0.708
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
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