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AG01865T

Name: 9-Octadecenoyl carnitine
Brand: Angene Chemical
SKU: AG01865T

38677-66-6 | 9-Octadecenoyl carnitine

Chemical structure of 9-Octadecenoyl carnitine, CAS 38677-66-6

AG01865T

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CAS Number	38677-66-6
Catalog Number	AG01865T(AGN-PC-0RH66A)
Chemical Name	9-Octadecenoyl carnitine
IUPAC Name	(3R)-3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
InChI	InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m1/s1
InChI Key	IPOLTUVFXFHAHI-WHIOSMTNSA-N
MDL Number	MFCD22416941
Molecular Formula	C25H47NO4
Molecular Weight	425.6450
SMILES	CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
UNII	IQ19DDF3A0
Synonyms	oleoylcarnitine, oleoylcarnitine, (R-(Z))-isomer, oleoyl-L-carnitine, Oleoylcarnitine, UNII-IQ19DDF3A0, oleoyl L-carnitine, IQ19DDF3A0, 38677-66-6, acylcarnitine C18:1, Oleoyllevocarnitine, Oleoylcarnitine, (-)-, 13962-05-5, (R)-oleoylcarnitine, O-oleoyl-L-carnitine, (9Z)-octadecenoyl-L-carnitine, C18:1(delta9-cis) Carnitine, CHEBI:84651, IPOLTUVFXFHAHI-WHIOSMTNSA-N, (R)-[(9Z)-octadecenoyl]carnitine, C18:1(.DELTA.9-cis) Carnitine, O-(9Z)-octadecenoyl-(R)-carnitine, Oleoyl-L-carnitine, analytical standard, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(((9Z)-1-oxo-9-octadecenyl)oxy)-, inner salt, (2R)-, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxo-9-octadecenyl)oxy)-, inner salt, (R-(Z))-, C18:1(Delta9-cis) Carnitine, oleoyl L-carnitine, powder, C18:1(Delta9-cis) Carnitine, oleoyl L-carnitine, chloroform, (3R)-3-{[(9Z)-octadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate, (Z)-(+-)-3-carboxy-N,N,N-trimethyl-2-((1-oxo-9-octadecenyl)oxy)-1-Propanaminium, (9Z)-octadec-9-enoylcarnitine, C25H47NO4, C25-H47-N-O4,

Complexity	463
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	425.351g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	425.654g/mol
Monoisotopic Mass	425.351g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.9

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited