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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O
Molecular Weight 254.3269
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isosetoclavine

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@@](C)(O)CN2C

InChI

InChIKey=BGVUWLLRNRBDAY-GDBMZVCRSA-N
InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O
Molecular Weight 254.3269
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 10:14:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:04 GMT 2023
Record UNII
W6L8R44PP8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isosetoclavine
Common Name English
9,10-DIDEHYDRO-6,8-DIMETHYLERGOLIN-8.BETA.-OL
Systematic Name English
ERGOLIN-8.BETA.-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-
Systematic Name English
(+)-ISOSETOCLAVINE
Common Name English
ERGOLIN-8-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-, (8.BETA.)-
Systematic Name English
ISOSETOCLAVIN
Common Name English
J691.020C
Code English
Code System Code Type Description
CAS
519-11-9
Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023
PRIMARY
FDA UNII
W6L8R44PP8
Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023
PRIMARY
PUBCHEM
11644551
Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023
PRIMARY
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