EMDT oxalate 50mg

CAT: 0628-A19667-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19667-50Size:50 mg

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CAS Number

263744-72-5

Chemical Information

EMDT oxalate

CAS Number	263744-72-5
PubChem CID	90488919
IUPAC Name	2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine;oxalic acid
Molecular Formula	C17H24N2O5
Molecular Weight	336.4
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	328

SMILES

CCC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O.C2H2O4/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14;3-1(4)2(5)6/h6-7,10,16H,5,8-9H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

IFGWAHGHGDZBEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 263744-72-5

CID: 90488919

Formula: C17H24N2O5

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	336.16852187
Monoisotopic Mass	336.16852187
Topological Polar Surface Area	103 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	328
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
HY-103098	EMDT oxalate
GTR19205950-01	EMDT
sc-253220	Oxalate
AR-C02956-01	(S) -Citalopram Oxalate (Escitalopram Oxalate)
C5670-15	S-Citalopram Oxalate (Escitalopram Oxalate)
MBS6061647-01	(S)-Citalopram Oxalate (Escitalopram Oxalate)
B6689-10	Butabindide oxalate
B7071-50	Proxyfan oxalate
B2238-50	Escitalopram Oxalate
CS-O-34150	Nereistoxin oxalate