.ALPHA.-CYANO-6-(2-PROPENYL)ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H24N4O
Molecular Weight	348.4415
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-CYANO-6-(2-PROPENYL)ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Structure Search

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CC(C#N)C(N)=O)CN2CC=C

InChI

InChIKey=LKCZEQOKRXYVFB-UPFHGQHHSA-N

InChI=1S/C21H24N4O/c1-2-6-25-12-13(7-14(10-22)21(23)26)8-17-16-4-3-5-18-20(16)15(11-24-18)9-19(17)25/h2-5,11,13-14,17,19,24H,1,6-9,12H2,(H2,23,26)/t13-,14?,17-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N4O
Molecular Weight	348.4415
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:59:08 GMT 2023` Edited by `admin` on `Sat Dec 16 11:59:08 GMT 2023`
Record UNII	BJ07Q17AEN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-CYANO-6-(2-PROPENYL)ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Systematic Name

English

ERGOLINE-8-PROPANAMIDE, .ALPHA.-CYANO-6-(2-PROPENYL)-, (8.BETA.)-

Systematic Name

English

ERGOLINE-8-PROPIONAMIDE, 6-ALLYL-ALPHA-CYANO-, (8-BETA)-

Common Name

English

Code System Code Type Description

CAS

74627-37-5

Created by admin on Sat Dec 16 11:59:08 GMT 2023 , Edited by admin on Sat Dec 16 11:59:08 GMT 2023

PRIMARY

FDA UNII

BJ07Q17AEN

Created by admin on Sat Dec 16 11:59:08 GMT 2023 , Edited by admin on Sat Dec 16 11:59:08 GMT 2023

PRIMARY

PUBCHEM

131884482

Created by admin on Sat Dec 16 11:59:08 GMT 2023 , Edited by admin on Sat Dec 16 11:59:08 GMT 2023

PRIMARY

EPA CompTox

DTXSID60996137

Created by admin on Sat Dec 16 11:59:08 GMT 2023 , Edited by admin on Sat Dec 16 11:59:08 GMT 2023

PRIMARY