YS-49

CAT: 0127-BUP12591-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12591-02Size:10 mg

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

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CAS Number

132836-42-1

Purity

=98%

Smiles

Br.Oc1cc2CCNC(Cc3cccc4ccccc34)c2cc1O

Chemical Information

YS-49

structure given in first source

CAS Number	132836-42-1
PubChem CID	10249534
IUPAC Name	1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular Formula	C20H20BrNO2
Molecular Weight	386.3
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	401

SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43.Br

InChI

InChI=1S/C20H19NO2.BrH/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;/h1-7,11-12,18,21-23H,8-10H2;1H

InChIKey

JXFRKNGQHAAJKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132836-42-1

CID: 10249534

Formula: C20H20BrNO2

MW: 386.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	385.06774
Monoisotopic Mass	385.06774
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP02018-01	YS-370
BUP08758-01	YS-67
BUP09145-01	GAK inhibitor 49
BUP13079-01	AI-10-49
BUP23602-01	Tubulin inhibitor 49
BUP00879-01	I-49 free base
OR1063553-01	GAK inhibitor 49 hydrochloride
BUP04852-01	Anti-inflammatory agent 49
BUP06982-01	ALW-II-49-7
BUP21000-01	Acetyl Hexapeptide-49 Acetate