16-Hydroxy Capsaicin

CAT: 1596-AR-C01283-02Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C01283-02Size:50 Units

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CAS Number

112848-19-8

Synonyms

(E) -8-hydroxy-N- (4-hydroxy-3-methoxybenzyl) -8-methylnon-6-enamide; (6E) -8-Hydroxy-N-[ (4-hydroxy-3-methoxyphenyl) methyl]-8-methyl-6-nonenamide

Molecular Formula

C18H27NO4

Molecular Weight

321.42

API Name

Capsaicin

Chemical Information

16-Hydroxy Capsaicin

CAS Number	112848-19-8
PubChem CID	71748835
IUPAC Name	(E)-8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Molecular Formula	C18H27NO4
Molecular Weight	321.4
XLogP	2.2
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	381

SMILES

CC(C)(/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC)O

InChI

InChI=1S/C18H27NO4/c1-18(2,22)11-7-5-4-6-8-17(21)19-13-14-9-10-15(20)16(12-14)23-3/h7,9-12,20,22H,4-6,8,13H2,1-3H3,(H,19,21)/b11-7+

InChIKey

OGBQQOBPAFILCJ-YRNVUSSQSA-N

Chemical Structure

2D Structure

CAS: 112848-19-8

CID: 71748835

Formula: C18H27NO4

MW: 321.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.4
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	321.19400834
Monoisotopic Mass	321.19400834
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C01284-01	17-Hydroxy Capsaicin
AR-C01282-01	16,17-Dehydro Capsaicin
AR-C06005-01	16,17-Dehydro Capsaicin (Mixture of Z and E Isomers)
AR-C01285-01	Nordihydro Capsaicin
AR-C01278-01	Cis-Capsaicin
AR-C01281-01	Dihydro Capsaicin
AR-C01275-01	Trans-Capsaicin
AR-P32703-01	16-alfa-Hydroxy Progesterone
AR-P02679-01	16-beta-Hydroxy Prednisolone
AR-C06003-01	Cis-Nor Capsaicin

Catalog	Name
TRC-H825025-250MG	16-Hydroxy Capsaicin
sc-490551	16-Hydroxy capsaicin-d3
TRC-H825027-25MG	16-Hydroxy Capsaicin-D₃
GTR19280268-01	17-Hydroxy Capsaicin
271314-01	16,17-Dehydro capsaicin
CS-T-78666	17-Hydroxy Capsaicin-d3
TRC-H825032-100MG	17-Hydroxy Capsaicin-D₃
MBS6030005-01	Capsaicin ((6E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide, trans-8-Methyl-N-vanillyl-6-nonenamide, Axsain, Mioton, Zacin, Zostrix)
MBS6055313-01	Capsaicin-d3 ((6E)-N-[(4-Hydroxy-3-methoxy-d3-phenyl)methyl]-8-methyl-6-nonenamide, trans-8-Methyl-N-vanillyl-6-nonenamide-d3, Axsain-d3, Mioton-d3, Zacin-d3, Zostrix-d3)
BA2721-5.1	Capsaicin