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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO4
Molecular Weight 327.3743
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBOLDINE

SMILES

COC1=CC2=C(C[C@@H]3N(C)CCC4=CC(OC)=C(O)C2=C34)C=C1O

InChI

InChIKey=LINHZVMHXABQLB-ZDUSSCGKSA-N
InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO4
Molecular Weight 327.3743
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:21:55 GMT 2025
Edited
by admin
on Mon Mar 31 20:21:55 GMT 2025
Record UNII
M002E511AJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-113983
Preferred Name English
ISOBOLDINE
Common Name English
(S)-(+)-ISOBOLDINE
Common Name English
(+)-ISOBOLDINE
Common Name English
ISOBOLDINE , (+)-
Common Name English
D-ISOBOLDINE
Common Name English
ISOTEOLIN
Common Name English
6A.ALPHA.-APORPHINE-1,9-DIOL, 2,10-DIMETHOXY-
Common Name English
(S)-ISOBOLDINE
Common Name English
N-METHYLLAURELLIPTINE
Common Name English
4H-DIBENZO(DE,G)QUINOLINE-1,9-DIOL, 5,6,6A,7-TETRAHYDRO-2,10-DIMETHOXY-6-METHYL-, (6AS)-
Common Name English
4H-DIBENZO(DE,G)QUINOLINE-1,9-DIOL, 5,6,6A,7-TETRAHYDRO-2,10-DIMETHOXY-6-METHYL-, (S)-
Common Name English
Code System Code Type Description
FDA UNII
M002E511AJ
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID301045612
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
CAS
95508-61-5
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
NON-SPECIFIC SUBSTITUTION
WIKIPEDIA
Isoteolin
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
CAS
3019-51-0
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
PUBCHEM
133323
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
NSC
113983
Created by admin on Mon Mar 31 20:21:55 GMT 2025 , Edited by admin on Mon Mar 31 20:21:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT