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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17NO4.BrH
Molecular Weight 392.244
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hernangerine hydrobromide, (+)-

SMILES

Br.COC1=C2C(C[C@@H]3NCCC4=CC5=C(OCO5)C2=C34)=CC=C1O

InChI

InChIKey=YLVREAZYRKWQMQ-MERQFXBCSA-N
InChI=1S/C18H17NO4.BrH/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17;/h2-3,7,11,19-20H,4-6,8H2,1H3;1H/t11-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Hernangerine hydrobromide
Preferred Name English
Hernangerine hydrobromide, (+)-
Common Name English
(12S)-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0{2,6}.0{8,20}.0{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol hydrobromide
Systematic Name English
6a?-Noraporphin-10-ol, 11-methoxy-1,2-(methylenedioxy)-, hydrobromide
Systematic Name English
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol, 6,7,7a,8-tetrahydro-12-methoxy-, hydrobromide, (7aS)-
Systematic Name English
Code System Code Type Description
FDA UNII
JUH8GQ6ABZ
Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025
PRIMARY
PUBCHEM
45264832
Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025
PRIMARY
CAS
14140-30-8
Created by admin on Wed Apr 02 17:30:41 GMT 2025 , Edited by admin on Wed Apr 02 17:30:41 GMT 2025
PRIMARY