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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO3.ClH
Molecular Weight 395.963
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAPELLINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12[C@@H]3C[C@H]4[C@@]1([C@@H](O)CC[C@@]4(C)CN2CC)[C@]5([H])C[C@H](O)[C@@H]6C[C@]35[C@H](O)C6=C

InChI

InChIKey=PZXQMICJIDMSSE-LYWLWKIFSA-N
InChI=1S/C22H33NO3.ClH/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22;/h12-19,24-26H,2,4-10H2,1,3H3;1H/t12-,13+,14+,15-,16-,17+,18-,19-,20+,21+,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C22H33NO3
Molecular Weight 359.5023
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:03:16 UTC 2023
Edited
by admin
on Sat Dec 16 10:03:16 UTC 2023
Record UNII
V698CDU146
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NAPELLINE HYDROCHLORIDE
MI  
Common Name English
LUCICULINE HYDROCHLORIDE
Common Name English
7,20-CYCLOVEATCHANE-1,12,15-TRIOL, 21-ETHYL-4-METHYL-16-METHYLENE-, HYDROCHLORIDE, (1.ALPHA.,12.ALPHA.,15.BETA.)-
Systematic Name English
NAPELLINE, HYDROCHLORIDE
Common Name English
NAPELLINE HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
FDA UNII
V698CDU146
Created by admin on Sat Dec 16 10:03:16 UTC 2023 , Edited by admin on Sat Dec 16 10:03:16 UTC 2023
PRIMARY
CAS
6197-47-3
Created by admin on Sat Dec 16 10:03:16 UTC 2023 , Edited by admin on Sat Dec 16 10:03:16 UTC 2023
PRIMARY
PUBCHEM
86278129
Created by admin on Sat Dec 16 10:03:16 UTC 2023 , Edited by admin on Sat Dec 16 10:03:16 UTC 2023
PRIMARY
MERCK INDEX
m7722
Created by admin on Sat Dec 16 10:03:16 UTC 2023 , Edited by admin on Sat Dec 16 10:03:16 UTC 2023
PRIMARY Merck Index