Basic information
- CAS
155270-53-4- Standard SMILES
O=C(CSSCC(=O)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5- InChIKey
CYNYZGWJRWHWPG-UHFFFAOYSA-N- Molecular formula
- C44H50N4O8S2
- Average molar mass
- 827 g/mol
- Monoisotopic mass
- 826.30700691
Overview
structure in first source
Names & identifiers
- Preferred name
- 14,14'-(Dithiobis((2-oxo-2,1-ethanediyl)imino))bis(7,8-dihydro-N-(cyclopropylmethyl)normorphinone)
- IUPAC
- N-[3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide
- English name
- 14,14'-(dithiobis((2-oxo-2,1-ethanediyl)imino))bis(7,8-dihydro-N-(cyclopropylmethyl)normorphinone)
- Molecular formula
- C44H50N4O8S2
- Molecular weight
- 827.02
Names & synonyms
N-Cyclopropylmethyl-tamo155270-53-414,14'-(Dithiobis((2-oxo-2,1-ethanediyl)imino))bis(7,8-dihydro-N-(cyclopropylmethyl)normorphinone)RefChem:78543Acetamide, 2,2'-dithiobis[N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]- (9CI)
Database identifiers
- CAS
155270-53-4- PubChem CID
- 197656
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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