KRN330

CAT: 0127-BUP20720-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20720-02Size:5 mg

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

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CAS Number

113-53-1

Synonyms

KRN 330

Purity

=95%

Smiles

S1C=2C=CC=CC2C(=CCCN(C)C)C=3C=CC=CC3C1

Chemical Information

Dothiepin

A tricyclic antidepressant with some tranquilizing action.

CAS Number	113-53-1
PubChem CID	3155
IUPAC Name	3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular Formula	C19H21NS
Molecular Weight	295.4
XLogP	4.5
Topological Polar Surface Area	28.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	363

SMILES

CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31

InChI

InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3

InChIKey

PHTUQLWOUWZIMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113-53-1

CID: 3155

Formula: C19H21NS

MW: 295.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	295.13947085
Monoisotopic Mass	295.13947085
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T77441-01	KRN330
GTR18593975-01	KRN330 Antibody
048073	GPA33 (KRN330) discontinued
F1687-.1	Anti-GPA33 Antibody (KRN330)
PTX25448-01	Anti-Human GPA33 (KRN330)
GTR18594625-01	KRN330 Biosimilar (GPA33 Reference Antibody)
GTR18622917-01	Anti-human GPA33 (KRN330 Biosimilar)
M07688-2	Anti-GPA33 Reference Antibody (KRN330)
DHJ46901	Research Grade Anti-Human GPA33 (KRN330)
A135706	Anti-GPA33 (KRN330) Biosimilar (Monoclonal, IgG)