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73674-85-8 molecular structure
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14-hydrazinylidene-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,17-diol

ChemBase ID: 128539
Molecular Formular: C19H23N3O3
Molecular Mass: 341.40422
Monoisotopic Mass: 341.17394161
SMILES and InChIs

SMILES:
C=CCN1CCC23C4/C(=N/N)/CCC2(C1Cc1c3c(c(cc1)O)O4)O
Canonical SMILES:
C=CCN1CCC23C4(C1Cc1c3c(OC2/C(=N/N)/CC4)c(cc1)O)O
InChI:
InChI=1S/C19H23N3O3/c1-2-8-22-9-7-18-15-11-3-4-13(23)16(15)25-17(18)12(21-20)5-6-19(18,24)14(22)10-11/h2-4,14,17,23-24H,1,5-10,20H2
InChIKey:
XQQRNWNMEFUSMN-UHFFFAOYSA-N

Cite this record

CBID:128539 http://www.chembase.cn/molecule-128539.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
14-hydrazinylidene-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,17-diol
IUPAC Traditional name
naloxazone
Synonyms
Naloxone- 6-hydrazone
Naloxazone
CAS Number
73674-85-8
PubChem SID
162222846
PubChem CID
9576788
57485860
CHEMBL
354010
Wikipedia Title
Naloxazone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.408018  H Acceptors
H Donor LogD (pH = 5.5) -1.4850514 
LogD (pH = 7.4) 0.025988877  Log P 0.3167077 
Molar Refractivity 95.2634 cm3 Polarizability 36.538757 Å3
Polar Surface Area 91.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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