AG01EOLH

Name: 6H05 trifluoroacetate
Brand: Angene Chemical
SKU: AG01EOLH

2061344-88-3 | 6H05 trifluoroacetate

AG01EOLH

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CAS Number	2061344-88-3
Catalog Number	AG01EOLH(AGN-PC-3H4I97)
Chemical Name	6H05 trifluoroacetate
IUPAC Name	1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
InChI	InChI=1S/C20H30ClN3O2S3.C2HF3O2/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18;3-2(4,5)1(6)7/h3-6,16H,7-15H2,1-2H3,(H,22,26);(H,6,7)
InChI Key	YNMYIJSFFJXIRV-UHFFFAOYSA-N
MDL Number	MFCD28139065
Molecular Formula	C22H31ClF3N3O4S3
Molecular Weight	590.1424
SMILES	ClC1=CC=C(SCC(N2CCC(C(NCCSSCCN(C)C)=O)CC2)=O)C=C1.FC(F)(C(O)=O)F
Synonyms	6H05 (trifluoroacetate), 6H05 trifluoroacetate, 2061344-88-3, s7330, HMS3653E14, 1469338-01-9(free base), HY-12408A, AKOS026750271, CS-3428, FT-0742955, SW219399-1, A14235, 6H05, A8902, 1469338-01-9, NO,

Complexity	581
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	589.112g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	590.132g/mol
Monoisotopic Mass	589.112g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited