U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25NO4.ClH
Molecular Weight 391.888
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CORYBULBINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12[C@@H](C)C3=C(CN1CCC4=CC(O)=C(OC)C=C24)C(OC)=C(OC)C=C3

InChI

InChIKey=BBWAVTIPBODMET-XVHUJMMASA-N
InChI=1S/C21H25NO4.ClH/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22;/h5-6,9-10,12,20,23H,7-8,11H2,1-4H3;1H/t12-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H25NO4
Molecular Weight 355.4275
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 10:03:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:03:16 GMT 2023
Record UNII
I3T8146658
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CORYBULBINE HYDROCHLORIDE
MI  
Common Name English
6H-DIBENZO(A,G)QUINOLIZIN-3-OL, 5,8,13,13A-TETRAHYDRO-2,9,10-TRIMETHOXY-13-METHYL-, HYDROCHLORIDE, (13S-TRANS)-
Systematic Name English
CORYBULBINE HYDROCHLORIDE [MI]
Common Name English
CORYBULBINE HYDROCHLORIDE, (+)-
Common Name English
Code System Code Type Description
PUBCHEM
86278128
Created by admin on Sat Dec 16 10:03:16 GMT 2023 , Edited by admin on Sat Dec 16 10:03:16 GMT 2023
PRIMARY
CAS
5986-03-8
Created by admin on Sat Dec 16 10:03:16 GMT 2023 , Edited by admin on Sat Dec 16 10:03:16 GMT 2023
PRIMARY
FDA UNII
I3T8146658
Created by admin on Sat Dec 16 10:03:16 GMT 2023 , Edited by admin on Sat Dec 16 10:03:16 GMT 2023
PRIMARY
MERCK INDEX
m125
Created by admin on Sat Dec 16 10:03:16 GMT 2023 , Edited by admin on Sat Dec 16 10:03:16 GMT 2023
PRIMARY Merck Index