CABERGOLINE DIPHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H37N5O2.2H3O4P
Molecular Weight	647.5946
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC

InChI

InChIKey=QCSYJICXNUHBML-CGCNXJRXSA-N

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

HIDE SMILES / InChI

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H37N5O2
Molecular Weight	451.6043
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:52 UTC 2023` Edited by `admin` on `Fri Dec 15 18:11:52 UTC 2023`
Record UNII	477M7SA9N9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CABERGOLINE DIPHOSPHATE

Common Name

English

FCE 213

Code

English

CABERGOLINE DIPHOSPHATE [MI]

Common Name

English

N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-ALLYLERGOLINE-8-CARBOXAMIDE PHOSPHATE (1:2), (8.BETA.)-

Common Name

English

FCE-213

Code

English

ERGOLINE-8-CARBOXAMIDE, N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-(2-PROPENYL)-, (8.BETA.)-, PHOSPHATE (1:2)

Common Name

English

Code System Code Type Description

PUBCHEM

9917528