EC18

CAT: 0931-T71100-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71100-02Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1260094-44-7

Target

Others

Related Pathways

Others

Bioactivity

EC18 is a bioactive chemical.

Smiles

O(C)C=1C=C2C(=CC1OC)CCN(C(=O)C2)[C@@H]3C[C@@H](N(CCC4=CC(OC)=C(OC)C=C4)C)CCC3

Molecular Formula

C29H40N2O5

Molecular Weight

496.64

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-(cis-3-((3,4-Dimethoxyphenethyl)(methyl)amino)cyclohexyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one

CAS Number	1260094-44-7
PubChem CID	155523506
IUPAC Name	3-[(1S,3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Molecular Formula	C29H40N2O5
Molecular Weight	496.6
XLogP	4.6
Topological Polar Surface Area	60.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	36
Formal Charge	0
Complexity	693

SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@@H]2CCC[C@@H](C2)N3CCC4=CC(=C(C=C4CC3=O)OC)OC

InChI

InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3/t23-,24+/m1/s1

InChIKey

IUAVZEYOWYFRAS-RPWUZVMVSA-N

Chemical Structure

2D Structure

CAS: 1260094-44-7

CID: 155523506

Formula: C29H40N2O5

MW: 496.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	496.6
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	496.29372238
Monoisotopic Mass	496.29372238
Topological Polar Surface Area	60.5 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5813639	EC18

EC18

Chemical Information

Alternative Products

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