STX2845

CAT: 0013-GTR19209621-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19209621-02Size:50 mg

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

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Description

STX2845

CAS Number

1623785-66-9

Smiles

O (S (N) (=O) =O) C=1C=C2C (CN (CC3=CC (OC) =C (OC) C (OC) =C3) CC2) =CC1

Molecular Formula

C19H24N2O6S

Molecular Weight

408.47

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate

CAS Number	1623785-66-9
PubChem CID	137637640
IUPAC Name	[2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
Molecular Formula	C19H24N2O6S
Molecular Weight	408.5
XLogP	2.1
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	584

SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCC3=C(C2)C=CC(=C3)OS(=O)(=O)N

InChI

InChI=1S/C19H24N2O6S/c1-24-17-8-13(9-18(25-2)19(17)26-3)11-21-7-6-14-10-16(27-28(20,22)23)5-4-15(14)12-21/h4-5,8-10H,6-7,11-12H2,1-3H3,(H2,20,22,23)

InChIKey

FADBCEQHRUPPSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1623785-66-9

CID: 137637640

Formula: C19H24N2O6S

MW: 408.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.5
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	408.13550766
Monoisotopic Mass	408.13550766
Topological Polar Surface Area	109 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	584
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	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5812901	STX2845