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Home> Encyclopedia > Hot Product Listed T   > trans-capsaicin-d3
1217899-52-9 structure

trans-capsaicin-d3

Iupac Name:(E)-N-[[4-hydroxy-3-(trideuteriomethoxy)phenyl]methyl]-8-methylnon-6-enamide
CAS No.:1217899-52-9
EINECS(EC#): 206-969-8
Molecular Weight:308.436
Molecular Formula:C18H27NO3 (isomer)
Names and Identifiers
Synonyms

(6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide # (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide (6e)-n-{[4-hydroxy-3-((2)h?)methoxyphenyl]methyl}-8-methylnon-6-enamide (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide (E)-8-Methyl-N-vanillyl-6-nonenamide (E)8-methyl-N-vanillyl-6-Nonenamide (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl) (E)-Capsaicin (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide (E)-N-(4-Hydroxy-3-methoxybenzyl) (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide [(E)-N-(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide 1217899-52-9 404-86-4 4CH-016296 6-Nonenamide, (E)- 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- (8CI) 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)- 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)- 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)- 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)- 8-Methyl-N-vanillyl-6E-nonenamide 8-Methyl-N-Vanillyl-6-Nonenamide 8-Methyl-N-vanillyl-6-nonenamide, (E)- 8-Methyl-N-vanillyl-trans-6-nonenamide AB00053098_12 AB00053098-11 AC-10114 AC1LU7K3 AC1Q46B3 Adlea AJ-26667 AKOS007930159 ALGRX 4975 AN-23437 Ausanil Axsain BBL027836 BDBM20461 BDBM86537 Bitter orange extract 30% BPBio1_001053 BRD-K37056290-001-01-1 BRD-K50590187-001-06-6 BRN 2816484 BSPBio_000957 BSPBio_001548 BSPBio_002917 C06866 C18H27NO3 Capsaicin CAPSAICIN (2444-46-4 NONIVAMIDE (SYNTHETIC CAPSAICIN)) Capsaicin (8-Methyl-N-vanillyl-6-nonenamide) Capsaicin (in oleoresin of capsicum) Capsaicin (JAN/USP) Capsaicin (Natural) Capsaicin [in oleoresin of capsicum] Capsaicin [USAN] Capsaicin [USP:INN] Capsaicin Patch Capsaicin(Qutenza) Capsaicin(Vanilloid) Capsaicin, >=95%, from Capsicum sp. Capsaicin, analytical standard Capsaicin, certified reference material, TraceCERT(R) Capsaicin, European Pharmacopoeia (EP) Reference Standard Capsaicin, from Capsicum sp., >=50% (HPLC) Capsaicin, from natural source CAPSAICIN, NATURAL Capsaicin, Pharmaceutical Secondary Standard Capsaicin, United States Pharmacopeia (USP) Reference Standard Capsaicin,(S) CAPSAICINE CAPSAICINOIDS Capsicin Capsicine CAS_404-86-4 CAS-404-86-4 Caswell No. 158 CC0144 CCG-39908 CCRIS 1588 Certified Reference Material CHEBI:3374 CHEBI:94524 CHEMBL294199 Citrus Aurantium 30% Citrus Aurantium Extract CITRUS AURANTIUM PE CJ-23980 CS-1518 D00250 DB06774 depletes Substance P DSSTox_CID_241 DSSTox_GSID_20241 DSSTox_RID_75455 DTXSID9020241 E-CAPSAICIN EI-125 EINECS 206-969-8 EPA Pesticide Chemical Code 070701 epsilon-capsaicin FEMA No. 3404 FT-0082538 GTPL2486 HMS1361N10 HMS1570P19 HMS1791N10 HMS1921H11 HMS1989N10 HMS2089N11 HMS2092D21 HMS2097P19 HMS2230O23 HMS3402N10 HMS3649N15 HMS3678F11 HMS501B16 HSDB 954 HY-10448 I01-2469 IDI1_000354 IDI1_034018 Isodecenoate Isodecenoic acid vanillylamide KS-5181 LMFA08020085 LS-2138 M1149 MCULE-8056866140 MEGxp0_001448 MFCD00017259 Mioton MLS002154049 MOLPORT-044-724-357 MR3H3 N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)- N-(3-Methoxy-4-hydroxybenzyl)-8-methyl-6-nonenamide n-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide N0C781 N1667 N735 NCGC00017337-02 NCGC00017337-03 NCGC00017337-04 NCGC00017337-05 NCGC00017337-06 NCGC00017337-07 NCGC00017337-08 NCGC00017337-09 NCGC00017337-10 NCGC00017337-11 NCGC00017337-12 NCGC00017337-13 NCGC00017337-18 NCGC00090853-01 NCGC00090853-02 NCGC00090853-03 NCGC00090853-04 NCGC00090853-06 NCGC00090853-07 NCGC00090853-08 NCGC00090853-09 NCGC00090853-10 NCGC00090853-11 NCGC00090853-12 NCGC00257869-01 NCI-C56564 neurotoxic NGX 4010 NGX-1998 NGX-3781 NGX-4010 NGX-7325 Nonenamide, 8-methyl-N-vanillyl-, (E)- Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8 -methyl-, (E)- NSC 56353 NSC_2548 NSC56353 NSC-56353 NSC757844 NSC-757844 Pharmakon1600-01501128 Prestwick_204 Prestwick2_000879 Prestwick3_000879 Qutenza RTC-030399 S07O44R1ZM SBI-0052593.P002 SC-19636 SCHEMBL8085 SCHEMBL8086 SDCCGMLS-0066678.P001 SMP2_000337 SMR000718774 SPECTRUM1501128 Spectrum5_000538 SR-05000001861 SR-05000001861-1 SR-05000001861-4 SR-05000001861-5 SR-05000001861-6 SR-05000001861-9 ST057183 STL372889 Styptysat TC-030399 TL8002946 TNP00277 Tox21_110817 Tox21_200315 TQ-1018 trans-8-Methyl-N-vanillyl-6-nonenamide trans-8-Methyl-N-vanillylnon Transacin trans-Capsaicin trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide UNII-S07O44R1ZM UNII-UW86K581WY component YKPUWZUDDOIDPM-SOFGYWHQSA-N UPCMLD-DP092 UPCMLD-DP092:001 UPCMLD-DP092:002 Vanilloid W-5044 YKPUWZUDDOIDPM-SOFGYWHQSA-N ZINC1530575 Zostrix ZOSTRIX (TN) Zostrix HP

Inchi
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+/i3D3
InChkey
YKPUWZUDDOIDPM-HPFTVYJYSA-N
Canonical Smiles
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Isomers Smiles
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Properties
Melting Point
65.0°C
Boiling Point
210-220
Vapour
1.32X10-8 mm Hg at 25 deg C (est)
Flash Point
113 deg C (235 deg F) - closed cup
Solubility
Insoluble in cold water
Stability
Stable under recommended storage conditions.
Computational chemical data
  • Molecular Weight:308.436g/mol
  • Molecular Formula:C18H27NO3
  • Compound Is Canonicalized:True
  • Exact Mass:308.218
  • Monoisotopic Mass:308.218
  • Complexity:341
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:3
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADQTBmAYyBoLABgCI AiFSEACCCAAgIAAIiIEOjIgNJjKGsRuEcCtk1hGLuAe42BIOIAABAAAAQABAAAIAAACAAAAAAAAA AA==
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