DOSERGOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H53N3O3
Molecular Weight	551.8029
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(CO)NC(=O)[C@@]1([H])CN(C)[C@]2([H])CC3=CNC4=C3C(=CC=C4)[C@@]2([H])C1

InChI

InChIKey=DIPBYRMTSXMCIM-JSXVGJAVSA-N

InChI=1S/C34H53N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-32(39)30(24-38)36-34(40)26-20-28-27-17-16-18-29-33(27)25(22-35-29)21-31(28)37(2)23-26/h15-19,22,26,28,30-32,35,38-39H,3-14,20-21,23-24H2,1-2H3,(H,36,40)/b19-15+/t26-,28-,30+,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H53N3O3
Molecular Weight	551.8029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://apps.who.int/iris/bitstream/handle/10665/68742/WHO_EDM_QSM_2004.5.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 468, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Dosergoside is ergot alkaloid derivative. It was developed as dopaminergic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:01:37 GMT 2023` Edited by `admin` on `Fri Dec 15 19:01:37 GMT 2023`
Record UNII	S8674EHG6Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOSERGOSIDE

Official Name

English

dosergoside [INN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C169920