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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26N2.5H2O.H2O4S
Molecular Weight 422.535
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPARTEINE SULFATE

SMILES

O.O.O.O.O.OS(O)(=O)=O.[H][C@]12CN3CCCC[C@@]3([H])[C@]([H])(CN4CCCC[C@]14[H])C2

InChI

InChIKey=WNSDDGBLIALDPB-LIELMIIZSA-N
InChI=1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m0....../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 C15H26N2
Molecular Weight 234.3803
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
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 Fri Dec 15 15:26:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:26:18 UTC 2023
Record UNII
GQ3J2TLZ7E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPARTEINE SULFATE
JAN   MART.   USAN   WHO-DD  
USAN  
Official Name English
Sparteine sulfate [WHO-DD]
Common Name English
SPARTEINE SULFATE [MART.]
Common Name English
SPARTEINUM SULPHURICUM
HPUS  
Common Name English
SPARTEINUM SULPHURICUM [HPUS]
Common Name English
NSC-755834
Code English
SPARTEINE SULFATE [JAN]
Common Name English
SPARTEINE SULFATE PENTAHYDRATE [MI]
Common Name English
SPARTEINE SULFATE [USAN]
Common Name English
SPARTEINE SULFATE PENTAHYDRATE
MI  
Common Name English
SPARTEINE SULPHATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
Code System Code Type Description
NSC
755834
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
SMS_ID
300000032192
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL412873
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID50977192
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
PUBCHEM
20055553
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
FDA UNII
GQ3J2TLZ7E
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
CAS
6160-12-9
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
EVMPD
SUB04521MIG
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
MERCK INDEX
m10134
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C152415
Created by admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY