Bromocriptine Mesilate EP Impurity E

CAT: 1299-RM-B031805-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-B031805-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2492-53-7

Synonyms

(6aR,9R) -5-bromo-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

Molecular Formula

C16H16BrN3O

Molecular Weight

346.22

Target Alternative Name

Bromocriptine

Product Name Synonym

(6aR,9R) -5-bromo-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

Chemical Information

2-Bromolysergamide

CAS Number	2492-53-7
PubChem CID	44358192
IUPAC Name	(6aR,9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular Formula	C16H16BrN3O
Molecular Weight	346.22
XLogP	2.7
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	494

SMILES

CN1C[C@@H](C=C2[C@H]1CC3=C(NC4=CC=CC2=C34)Br)C(=O)N

InChI

InChI=1S/C16H16BrN3O/c1-20-7-8(16(18)21)5-10-9-3-2-4-12-14(9)11(6-13(10)20)15(17)19-12/h2-5,8,13,19H,6-7H2,1H3,(H2,18,21)/t8-,13-/m1/s1

InChIKey

BTXXUCVFDKNBPB-AMIZOPFISA-N

Chemical Structure

2D Structure

CAS: 2492-53-7

CID: 44358192

Formula: C16H16BrN3O

MW: 346.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.22
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	345.04767
Monoisotopic Mass	345.04767
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-B031819-01	Bromocriptine Mesilate EP Impurity A
RM-B031806-01	Bromocriptine Mesilate EP Impurity F
RM-B031804-01	Bromocriptine Mesilate EP Impurity D
RM-B031802-01	Bromocriptine Mesilate EP Impurity B
RM-B031803-01	Bromocriptine Mesilate EP Impurity C
RM-B031807-01	Bromocriptine Mesilate EP Impurity G
RM-B031826-01	Bromocriptine mesilate Impurity 26
RM-B031817-01	Bromocriptine Mesilate Impurity 17
RM-B031815-01	Bromocriptine Mesilate Impurity 15
RM-B031814-01	Bromocriptine Mesilate Impurity 14