N-ETHYL-6-METHYL-.ALPHA.-(METHYLSULFONYL)-ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29N3O3S
Molecular Weight	403.538
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ETHYL-6-METHYL-.ALPHA.-(METHYLSULFONYL)-ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Structure Search

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CC(C(=O)NCC)S(C)(=O)=O)CN2C

InChI

InChIKey=HGZMXIHVYCKVIV-HYBZBHLBSA-N

InChI=1S/C21H29N3O3S/c1-4-22-21(25)19(28(3,26)27)9-13-8-16-15-6-5-7-17-20(15)14(11-23-17)10-18(16)24(2)12-13/h5-7,11,13,16,18-19,23H,4,8-10,12H2,1-3H3,(H,22,25)/t13-,16+,18+,19?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H29N3O3S
Molecular Weight	403.538
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 07:52:56 GMT 2023` Edited by `admin` on `Sat Dec 16 07:52:56 GMT 2023`
Record UNII	0238A0DKJ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ETHYL-6-METHYL-.ALPHA.-(METHYLSULFONYL)-ERGOLINE-8-PROPANAMIDE, (8.BETA.)-

Systematic Name

English

ERGOLINE-8-BETA-PROPIONAMIDE, N-ETHYL-6-METHYL-ALPHA-(METHYLSULFONYL)-

Common Name

English

Code System Code Type Description

PUBCHEM

102445145

Created by admin on Sat Dec 16 07:52:56 GMT 2023 , Edited by admin on Sat Dec 16 07:52:56 GMT 2023

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FDA UNII

0238A0DKJ3

Created by admin on Sat Dec 16 07:52:56 GMT 2023 , Edited by admin on Sat Dec 16 07:52:56 GMT 2023

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EPA CompTox

DTXSID30996144

Created by admin on Sat Dec 16 07:52:56 GMT 2023 , Edited by admin on Sat Dec 16 07:52:56 GMT 2023

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CAS

74627-54-6

Created by admin on Sat Dec 16 07:52:56 GMT 2023 , Edited by admin on Sat Dec 16 07:52:56 GMT 2023

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