Rgh 4417

HCID 174180

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Basic information

CAS: 79720-73-3
Standard SMILES: CC[C@@]12C=C(COC(=O)c3cc(OC)c(OC)c(OC)c3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIKey: VYHPNRMBGSEPHR-DGPALRBDSA-N
Molecular formula: C30H34N2O5
Average molar mass: 502.6 g/mol
Monoisotopic mass: 502.24677219

Overview

structure given in first source

Names & identifiers

Preferred name: Rgh 4417
IUPAC: [(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]methyl 3,4,5-trimethoxybenzoate

Names & synonyms

Rgh-441779720-73-3RefChem:179063Rgh 441717,18-Dehydroapovincaminol-3',4',5'-trimethoxybenzoateDTXSID201000691[(15S,19S)-15-Ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]methyl 3,4,5-trimethoxybenzoate(Eburnamenin-14-yl)methyl 3,4,5-trimethoxybenzoate(3alpha,16alpha-Eburnamenin-14-yl)methyl 3,4,5-trimethoxybenzoateEburnamenine-14-methanol, 3,4,5-trimethoxybenzoate (ester), (3alpha,16alpha)-

Database identifiers

CAS: 79720-73-3
PubChem CID: 174180
DTXSID: DTXSID201000691

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 866

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