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Home> Hot Product Listed P   > PROPIONYL-L-CARNITINE HYDROCHLORIDE
9034-50-8 structure

PROPIONYL-L-CARNITINE HYDROCHLORIDE

Iupac Name:(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CAS No.:9034-50-8
EINECS(EC#): 608-375-8
Molecular Weight:1050.22
Molecular Formula:C23H24N4O6 (isomer)
Names and Identifiers
Synonyms

(2R)-3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium Inner Salt (R)-Propionyl Carnitine L-Carnitine Propionyl Ester Levocarnitine Propil L-Propionylcarnitine PROPIONYL L-CARNITINE HCL PROPIONYL-L-CARNITINE CHLORIDE PROPIONYL-LEVO-CARNITINE HYDROCHLORIDE

Inchi
InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
InChkey
OXDZADMCOWPSOC-BQGUCLBMSA-N
Canonical Smiles
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Isomers Smiles
CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H]
(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC
(=O)N)CC(=O)N)CCC(=O)N
Properties
Density
1.63
Boiling Point
336.3°C at 760 mmHg
Refractive Index
1.713
Solubility
In water, 1X10+6 mg/L at 25 deg C (est)
Safety and Handling
Exposure Standards and Regulations
Since 1994, dietary supplements have been regulated under the Dietary Supplement Health and Education Act (DSHEA). The DSHEA requires no proof of safety for dietary supplements on the market prior to October 15, 1994. Labeling requirements for such supplements allow warnings and dosage recommendations as well as substantiated "structure or function" claims. All claims must prominently note that they have not been evaluated by the FDA, and they must bear the statement "This product is not intended to diagnose, treat, cure, or prevent any disease".
Octanol/Water Partition Coefficient
log Kow = -4.13 (est)
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Computational chemical data
  • Molecular Weight:1050.22g/mol
  • Molecular Formula:C23H24N4O6
  • Compound Is Canonicalized:True
  • Exact Mass:1049.454
  • Monoisotopic Mass:1049.454
  • Complexity:1990
  • Rotatable Bond Count:19
  • Hydrogen Bond Donor Count:14
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:515A^2
  • Heavy Atom Count:72
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB//ABgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgQQCAAADSzF2ASzBoPAAgCo AiFSNAACAAEgIAAIiIGOCIgIZjqC0TOUcAAk1hGImAedy6COIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-21-32527433
  • Fax:0086-21-52702835
  • Tel:+49 69 971412-0
  • Fax:+49 69 971412-20
  • Tel:+39-02-777281
  • Fax:+39-02-77728349
  • Tel:+86-21-60904639
  • Fax:+86-21-60904609
  • Tel:86-592-5592612
  • Fax:86-592-
 
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