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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C22H27NO2.H2O4S
Molecular Weight 772.989
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOBELINE SULFATE

SMILES

OS(O)(=O)=O.CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C3=CC=CC=C3.CN4[C@H](C[C@H](O)C5=CC=CC=C5)CCC[C@@H]4CC(=O)C6=CC=CC=C6

InChI

InChIKey=GRZMOSSVIPFGFF-GNJLJDPWSA-N
InChI=1S/2C22H27NO2.H2O4S/c2*1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2*2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)/t2*19-,20+,21-;/m00./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H27NO2
Molecular Weight 337.4553
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:22 UTC 2023
Edited
by admin
on Fri Dec 15 15:19:22 UTC 2023
Record UNII
4CJ480V2HP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOBELINE SULFATE
MART.   MI   WHO-DD  
Common Name English
2-(6-(.BETA.-HYDROXYPHENETHYL)-1-METHYL-2-PIPERIDYL)ACETOPHENONE SULPHATE
Systematic Name English
LOBELINE SULFATE [MART.]
Common Name English
2-(6-(.BETA.-HYDROXYPHENETHYL)-1-METHYL-2-PIPERIDYL)ACETOPHENONE SULFATE
Systematic Name English
LOBELINE SULPHATE
Common Name English
.ALPHA.-LOBELINE SULPHATE
Common Name English
INFLATINE SULFATE
Common Name English
.ALPHA.-LOBELINE SULFATE
Common Name English
2-((2R,6S)-6-((2S)-2-HYDROXY-2-PHENYLETHYL)-1-METHYL-2-PIPERIDINYL)-1-PHENYLETHANONE SULFATE
Systematic Name English
INFLATINE SULPHATE
Common Name English
Lobeline sulfate [WHO-DD]
Common Name English
2-((2R,6S)-6-((2S)-2-HYDROXY-2-PHENYLETHYL)-1-METHYL-2-PIPERIDINYL)-1-PHENYLETHANONE SULPHATE
Systematic Name English
LOBELINE SULFATE [MI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.544
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
Code System Code Type Description
EVMPD
SUB02962MIG
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-151-8
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
SMS_ID
100000086131
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
MERCK INDEX
m6879
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID80158452
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
FDA UNII
4CJ480V2HP
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
PUBCHEM
120636
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
CAS
134-64-5
Created by admin on Fri Dec 15 15:19:22 UTC 2023 , Edited by admin on Fri Dec 15 15:19:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY