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O-Desmethyl Galanthamine

CAT: 0572-TRC-D292030-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D292030-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60755-80-8
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc4c(O)ccc(C1)c34
Molecular Formula
C16 H19 N O3
Molecular Weight
273.33
InChI
InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Sanguinine

Sanguinine is a benzazepine.

CAS Number60755-80-8
PubChem CID443722
IUPAC Name(1S,12S,14R)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol
Molecular FormulaC16H19NO3
Molecular Weight273.33
XLogP1.5
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity426
SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)O
InChI
InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey
OYSGWKOGUVOGFQ-RBOXIYTFSA-N
Chemical Structure
2D Structure
2D structure of Sanguinine
CAS: 60755-80-8
CID: 443722
Formula: C16H19NO3
MW: 273.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.33
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass273.13649347
Monoisotopic Mass273.13649347
Topological Polar Surface Area52.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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