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

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H28N4O
Molecular Weight	364.4839
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-CYANO-6-(2-METHYLPROPYL)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)C

InChI

InChIKey=IPAFISRNGJMNGW-YPRAWBIMSA-N

InChI=1S/C22H28N4O/c1-13(2)11-26-12-14(6-15(9-23)22(24)27)7-18-17-4-3-5-19-21(17)16(10-25-19)8-20(18)26/h3-5,10,13-15,18,20,25H,6-8,11-12H2,1-2H3,(H2,24,27)/t14-,15?,18-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N4O
Molecular Weight	364.4839
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 07:53:56 GMT 2023` Edited by `admin` on `Sat Dec 16 07:53:56 GMT 2023`
Record UNII	2U93KF8FPJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20236849

Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023

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PUBCHEM

139032789

Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023

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FDA UNII

2U93KF8FPJ

Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023

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CAS

88133-29-3

Created by admin on Sat Dec 16 07:53:56 GMT 2023 , Edited by admin on Sat Dec 16 07:53:56 GMT 2023

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