13b-Hydroxy-1-one Epinastine

CAT: 1596-AR-E01492-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01492-01Size:10 Units

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CAS Number

2702358-41-4

Synonyms

3-amino-13b-hydroxy-9,13b-dihydro-1H-dibenzo[c, f]imidazo[1,5-a]azepin-1-one

Molecular Formula

C16H13N3O2

Molecular Weight

279.3

API Name

Epinastine

Chemical Information

Epinastine Impurity 5

CAS Number	2702358-41-4
PubChem CID	171703312
IUPAC Name	6-hydroxy-3-imino-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-5-one
Molecular Formula	C16H13N3O2
Molecular Weight	279.29
XLogP	1.7
Topological Polar Surface Area	76.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	480

SMILES

C1C2=CC=CC=C2C3(C(=O)NC(=N)N3C4=CC=CC=C41)O

InChI

InChI=1S/C16H13N3O2/c17-15-18-14(20)16(21)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)19(15)16/h1-8,21H,9H2,(H2,17,18,20)

InChIKey

HGWDYWYUMAZBMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2702358-41-4

CID: 171703312

Formula: C16H13N3O2

MW: 279.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.29
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	279.100776666
Monoisotopic Mass	279.100776666
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	480
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	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E08759-01	Epinastine
AR-E01488-01	Epinastine EP Impurity A (Dehydro Epinastine)
AR-E10055-01	Epinastine Impurity 1 HCl
AR-D02630-01	(+) -13b-Ethyl-17b-hydroxy-11- methylenegon-4-en-3-one
AR-E01482-01	Epinastine HCl
AR-E01483-01	Epinastine EP Impurity B (7-Bromo Epinastine)
AR-E10053-01	Epinastine Impurity 36
AR-E10052-01	Epinastine Impurity 35
AR-E10032-01	Epinastine Impurity 15
AR-E01487-01	Epinastine Related Compound A

Catalog	Name
TRC-E588370-10MG	13b-Hydroxy-1-one Epinastine
TRC-D229600-1MG	9,13b-Dehydro Epinastine
sc-210725	9,13b-Dehydro Epinastine Hydrochloride
271322-01	9,13b-Dehydro epinastine hydrochlorideDISCONTINUED
RM-E160927-01	Epinastine Impurity 1
T60366-01	Epinastine
TRC-E917705-2.5G	(+)-13b-Ethyl-17b-hydroxy-11-methylenegon-4-en-3-one
317777	Epinastine Hydrochloride