LS-75

CAT: 0127-OR1001922-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1001922-01Size:5 g

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

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CAS Number

885-70-1

Purity

98%

Smiles

O=C1C2=CC=CC=C2NC=3N=CC=CC3N1

Chemical Information

5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

metabolite of pirenzepine; structure given in first source

CAS Number	885-70-1
PubChem CID	70169
IUPAC Name	5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular Formula	C12H9N3O
Molecular Weight	211.22
XLogP	1.6
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	281

SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(N2)N=CC=C3

InChI

InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)

InChIKey

MIRBIZDDMSFTKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885-70-1

CID: 70169

Formula: C12H9N3O

MW: 211.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.22
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	211.074561919
Monoisotopic Mass	211.074561919
Topological Polar Surface Area	54 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	281
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
BIFK0037-01	PIK-75
BUP06387-01	PIK-75
OR1060066-01	Acetyl tetrapeptide-9 (Dermican LS 9837)
OR1001566-01	Tubulin polymerization-IN-75
BUP06294-01	PIK-75 hydrochloride
BIFK0038-01	PIK-75 Hydrochloride Salt
OR72871-01	Tributylmethylammonium chloride (ca. 75% in water)
BAL629	Adazol LS Total RNA Extraction Reagent, 1 pack = 100 mL
BAL628	Adazol LS Total RNA Extraction Reagent, 1 pack = 50 mL
BUP20317-01	Albiglutide TFA (782500-75-8 free base)