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Reticuline

CAT: 0607-BA4908-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4908-5Size:5 mg
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CAS Number
485-19-8
Form
A solid
Molecular Formula
C19H23NO4
Molecular Weight
329.39
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Reticuline

(S)-reticuline is the (S)-enantiomer of reticuline. It has a role as an EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor. It is a conjugate base of a (S)-reticulinium(1+). It is an enantiomer of a (R)-reticuline.

CAS Number485-19-8
PubChem CID439653
IUPAC Name(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP3
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity407
SMILES
CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC
InChI
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
InChIKey
BHLYRWXGMIUIHG-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Reticuline
CAS: 485-19-8
CID: 439653
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FR27708-01Reticuline
HY-135489-01(±) -Reticuline
MBS5825230(+/-)-Reticuline
AB2346(+) -Reticuline
GTR19180701-01(R) -Reticuline
FR76329(RS) -Reticuline
TRC-S225470-500MGS-Reticuline
sc-394153B(S) -Reticuline
AR-R10727-01Reticuline-d3
FR76328-01R-Reticuline

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