Cabergoline diphosphate

CAT: 0931-T68551-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T68551-01Size:25 mg

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

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CAS Number

85329-89-1

Target

Others, Dopamine Receptor, Autophagy

Related Pathways

GPCR/G Protein, Autophagy, Neuroscience, Others

Bioactivity

Cabergoline diphosphate is a dopamine D2 receptor agonist used for prolactinoma treatment. Cabergoline permits rapid and effective hormonal and tumor control by normalizing prolactin-producing pituitary adenomas levels.

Smiles

OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC

Molecular Formula

C26H43N5O10P2

Molecular Weight

647.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cabergoline Diphosphate

CAS Number	85329-89-1
PubChem CID	9917528
IUPAC Name	(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;phosphoric acid
Molecular Formula	C26H43N5O10P2
Molecular Weight	647.6
Topological Polar Surface Area	227
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Heavy Atom Count	43
Formal Charge	0
Complexity	763

SMILES

CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C26H37N5O2.2H3O4P/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30;2*1-5(2,3)4/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33);2*(H3,1,2,3,4)/t19-,21-,23-;;/m1../s1

InChIKey

QCSYJICXNUHBML-CGCNXJRXSA-N

Chemical Structure

2D Structure

CAS: 85329-89-1

CID: 9917528

Formula: C26H43N5O10P2

MW: 647.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	647.6
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	647.24851658
Monoisotopic Mass	647.24851658
Topological Polar Surface Area	227 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	763
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-15296A	Cabergoline (diphosphate)
MBS5811112	Cabergoline diphosphate
B3541-50	Cabergoline

Cabergoline diphosphate

Chemical Information

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