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cis-10,11-Dihydroxy Nortriptyline

CAT: 0572-TRC-D454100-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D454100-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1562-52-3
Hazard Statement
No Data Available
Smiles
CNCC\C=C\1/c2ccccc2[C@H](O)[C@H](O)c3ccccc13
Molecular Formula
C19 H21 N O2
Molecular Weight
295.38
InChI
InChI=1S/C19H21NO2/c1-20-12-6-11-13-14-7-2-4-9-16(14)18(21)19(22)17-10-5-3-8-15(13)17/h2-5,7-11,18-22H,6,12H2,1H3/b13-11-/t18-,19+/m1/s1
Additionnal Information
IUPAC name: (5R,6S)-11-[3-(methylamino)propylidene]-5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulene-5,6-diol
Shipping Conditions
Room Temperature

Chemical Information

cis-10,11-Dihydroxy Nortriptyline
CAS Number1562-52-3
PubChem CID29978805
IUPAC Name(9S,10R)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-diol
Molecular FormulaC19H21NO2
Molecular Weight295.4
XLogP1.7
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity365
SMILES
CNCCC=C1C2=CC=CC=C2[C@@H]([C@@H](C3=CC=CC=C31)O)O
InChI
InChI=1S/C19H21NO2/c1-20-12-6-11-13-14-7-2-4-9-16(14)18(21)19(22)17-10-5-3-8-15(13)17/h2-5,7-11,18-22H,6,12H2,1H3/t18-,19+
InChIKey
GKBCRWFSVWNWQQ-KDURUIRLSA-N
Chemical Structure
2D Structure
2D structure of cis-10,11-Dihydroxy Nortriptyline
CAS: 1562-52-3
CID: 29978805
Formula: C19H21NO2
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass295.157228913
Monoisotopic Mass295.157228913
Topological Polar Surface Area52.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-211108Cis-10,11-Dihydroxy Nortriptyline
MBS6110484-01cis-10-Hydroxy Nortriptyline
444635-01Cis-10-Hydroxy Nortriptyline-D3
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sc-489124Trans-10-Hydroxy nortriptyline
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CS-O-16639(E) -10-Hydroxy Nortriptyline-d3

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