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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 I

SMILES

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

InChI

InChIKey=XJOOMMHNYOJWCZ-DZGCQCFKSA-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+/m0/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 Sat Dec 16 15:06:29 GMT 2023
Edited
by admin
on Sat Dec 16 15:06:29 GMT 2023
Record UNII
9P13WL3AOK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGROCLAVINE I
Common Name English
AGROCLAVINE 1
Common Name English
(10.BETA.)-8,9-DIDEHYDRO-6,8-DIMETHYLERGOLINE
Systematic Name English
(-)-AGROCLAVINE I
Common Name English
AGROCLAVIN I
Common Name English
ERGOLINE, 8,9-DIDEHYDRO-6,8-DIMETHYL-, (10.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
9P13WL3AOK
Created by admin on Sat Dec 16 15:06:30 GMT 2023 , Edited by admin on Sat Dec 16 15:06:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10231904
Created by admin on Sat Dec 16 15:06:30 GMT 2023 , Edited by admin on Sat Dec 16 15:06:30 GMT 2023
PRIMARY
PUBCHEM
158182
Created by admin on Sat Dec 16 15:06:30 GMT 2023 , Edited by admin on Sat Dec 16 15:06:30 GMT 2023
PRIMARY
CAS
82597-81-7
Created by admin on Sat Dec 16 15:06:30 GMT 2023 , Edited by admin on Sat Dec 16 15:06:30 GMT 2023
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> EPIMER