AG00ABRM

Name: Fumarate hydratase-IN-1
Brand: Angene Chemical
SKU: AG00ABRM

1644060-37-6 | Fumarate hydratase-IN-1

AG00ABRM

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CAS Number	1644060-37-6
Catalog Number	AG00ABRM(AGN-PC-0WNHCK)
Chemical Name	Fumarate hydratase-IN-1
IUPAC Name	ethyl (3aR)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-1-[(4-phenylphenyl)methyl]-3,4,5,6-tetrahydroindole-3a-carboxylate
InChI	InChI=1S/C27H30N2O4/c1-3-33-26(32)27-16-8-7-11-23(27)29(25(31)22(27)17-24(30)28-2)18-19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-6,9-15,22H,3,7-8,16-18H2,1-2H3,(H,28,30)/t22?,27-/m1/s1
InChI Key	VFGLXHHVYNTCPD-RZIURPKCSA-N
MDL Number	MFCD30187520
Molecular Formula	C27H30N2O4
Molecular Weight	446.5381
SMILES	C1(=CC=C(C=C1)CN1C([C@H]([C@@]2(CCCC=C12)C(=O)OCC)CC(=O)NC)=O)C1=CC=CC=C1
Synonyms	1644060-37-6, Fumarate hydratase-IN-1,

Complexity	764
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	446.221g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	446.547g/mol
Monoisotopic Mass	446.221g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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