Tianeptine Impurity 11

CAT: 1299-RM-T090511-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T090511-01Size:10 mg

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CAS Number

26638-46-0

Synonyms

6-methyldibenzo[c, f][1,2]thiazepin-11 (6H) -one 5,5-dioxide

Molecular Formula

C14H11NO3S

Molecular Weight

273.31

Target Alternative Name

Tianeptine

Product Name Synonym

6-methyldibenzo[c, f][1,2]thiazepin-11 (6H) -one 5,5-dioxide

Chemical Information

Dibenzo[c,f][1,2]thiazepin-11(6H)-one, 6-methyl-, 5,5-dioxide

CAS Number	26638-46-0
PubChem CID	15561594
IUPAC Name	6-methyl-5,5-dioxobenzo[c][1,2]benzothiazepin-11-one
Molecular Formula	C14H11NO3S
Molecular Weight	273.31
XLogP	2.1
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	468

SMILES

CN1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1(=O)=O

InChI

InChI=1S/C14H11NO3S/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)19(15,17)18/h2-9H,1H3

InChIKey

SIECFEVCKFXEEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26638-46-0

CID: 15561594

Formula: C14H11NO3S

MW: 273.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.31
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	273.04596439
Monoisotopic Mass	273.04596439
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	468
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
RM-T090506-01	Tianeptine Impurity 6
RM-T090508-01	Tianeptine Impurity 8
RM-T090510-01	Tianeptine Impurity 10
RM-T090515-01	Tianeptine Impurity 15
RM-T090512-01	Tianeptine Impurity 12
RM-T090507-01	Tianeptine Impurity 7
RM-T090513-01	Tianeptine Impurity 13
RM-L052237-01	Tianeptine Impurity 14
RM-T090509-01	Tianeptine Impurity 9
RM-T090501-01	Tianeptine Sodium EP Impurity A

Catalog	Name
CS-T-53081	Tianeptine Impurity 11
CS-O-11135	Tianeptine Impurity E
CS-P-00142	Tianeptine Impurity D
AR-T02036-01	Tianeptine Thiazepinyl Chloride Impurity
AR-T02039-01	Tianeptine EP Impurity D
AR-T02038-01	Tianeptine EP Impurity C
AR-T02040-01	Tianeptine EP Impurity E
AR-T02037-01	Tianeptine EP Impurity B Fumarate
A3873-50	Tianeptine
A5322-5.1	Tianeptine sodium