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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2
Molecular Weight 238.3275
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGROCLAVINE

SMILES

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

InChI

InChIKey=XJOOMMHNYOJWCZ-UKRRQHHQSA-N
InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2
Molecular Weight 238.3275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:35:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:35:59 GMT 2023
Record UNII
A8SW57GO7T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGROCLAVINE
MI  
Common Name English
NSC-93132
Code English
8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE
Systematic Name English
AGROCLAVINE [MI]
Common Name English
Code System Code Type Description
WIKIPEDIA
AGROCLAVINE
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
MESH
C004465
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
CHEBI
2519
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
CHEBI
65042
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
PUBCHEM
73484
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
NSC
93132
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
MERCK INDEX
m1454
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
208-947-3
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID10970144
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
FDA UNII
A8SW57GO7T
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
CAS
548-42-5
Created by admin on Fri Dec 15 18:35:59 GMT 2023 , Edited by admin on Fri Dec 15 18:35:59 GMT 2023
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER