.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

NC(=O)C(C[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(CC=C)C1)C#N

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 `Tue Apr 01 17:42:38 GMT 2025` Edited by `admin` on `Tue Apr 01 17:42:38 GMT 2025`
Record UNII	BJ07Q17AEN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

.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

Code System Code Type Description

CAS

74627-37-5

Created by admin on Tue Apr 01 17:42:38 GMT 2025 , Edited by admin on Tue Apr 01 17:42:38 GMT 2025

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FDA UNII

BJ07Q17AEN

Created by admin on Tue Apr 01 17:42:38 GMT 2025 , Edited by admin on Tue Apr 01 17:42:38 GMT 2025

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PUBCHEM

131884482

Created by admin on Tue Apr 01 17:42:38 GMT 2025 , Edited by admin on Tue Apr 01 17:42:38 GMT 2025

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EPA CompTox

DTXSID60996137

Created by admin on Tue Apr 01 17:42:38 GMT 2025 , Edited by admin on Tue Apr 01 17:42:38 GMT 2025

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