6-METHYL-.ALPHA.-(4-METHYL-1-PIPERAZINYLCARBONYL)ERGOLINE-8-.BETA.-PROPIONITRILE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C24H31N5O
Molecular Weight	405.5358
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-METHYL-.ALPHA.-(4-METHYL-1-PIPERAZINYLCARBONYL)ERGOLINE-8-.BETA.-PROPIONITRILE

Structure Search

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CC(C#N)C(=O)N5CCN(C)CC5)CN2C

InChI

InChIKey=DHWNRQQNPIIQQA-UCQBSIRWSA-N

InChI=1S/C24H31N5O/c1-27-6-8-29(9-7-27)24(30)17(13-25)10-16-11-20-19-4-3-5-21-23(19)18(14-26-21)12-22(20)28(2)15-16/h3-5,14,16-17,20,22,26H,6-12,15H2,1-2H3/t16-,17?,20-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H31N5O
Molecular Weight	405.5358
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 08:06:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:38 GMT 2023`
Record UNII	9E5AP646W3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-METHYL-.ALPHA.-(4-METHYL-1-PIPERAZINYLCARBONYL)ERGOLINE-8-.BETA.-PROPIONITRILE

Common Name

English

ERGOLINE-8-BETA-PROPIONITRILE, 6-METHYL-ALPHA-(4-METHYL-1-PIPERAZINYLCARBONYL)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60996132

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

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PUBCHEM

102445147

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

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CAS

74627-31-9

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

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FDA UNII

9E5AP646W3

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

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