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2,10,11-trihydroxy-N-n-propylnoraporphine

HCID 173603
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Basic information

CAS
77761-73-0
Standard SMILES
Br.CCCN1CCc2cc(O)cc3c2C1Cc1ccc(O)c(O)c1-3
InChIKey
KIAIFHTWTMKEDI-UHFFFAOYSA-N
Molecular formula
C19H22BrNO3
Average molar mass
392.3 g/mol
Monoisotopic mass
391.07831

Overview

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Names & identifiers

Preferred name
2,10,11-trihydroxy-N-n-propylnoraporphine
IUPAC
6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol;hydrobromide
English name
2,10,11-trihydroxy-N-n-propylnoraporphine
Molecular formula
C19H21NO3.BrH
Molecular weight
392.29

Names & synonyms

2,10,11-Trihydroxy-N-n-propylnoraporphine2,10,11-Tpna77761-73-0X24JVA4SAX4H-Dibenzo(de,g)quinoline-2,10,11-triol, 5,6,6a,7-tetrahydro-6-propyl-, hydrobromideRefChem:80500DTXSID60998954DTXSID00435151UNII-X24JVA4SAXSCHEMBL1325230NCGC00093870-01(-)2,10,11-trihydroxy-N-propylnoraporphine hydrobromide
Show more names
4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE (1:1)6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol--hydrogen bromide (1/1)

Database identifiers

CAS
77761-73-0
PubChem CID
173603
DTXSID
DTXSID60998954
UNII
X24JVA4SAX

Properties

Computed structural properties

Topological polar surface area
63.9 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
431

Physicochemical properties

FDA UNII
24 JVA4SAX · X24JVA4SAX

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Compound notes

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