Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
6HBG94710Z
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H26NO2S2.Cl
Molecular Weight 327.934
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 01:47:30 EDT 2021
Edited by admin on Wed Aug 04 01:47:30 EDT 2021
Structure of .ALPHA.-R-LIPOIC ACID CHOLINE ESTER CHLORIDE

Systematic Names:

  • None recorded

SMILES

[Cl-].C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1

InChI

QMADNKDMPGZUKN-UTONKHPSSA-M
InChI=1S/C13H26NO2S2.ClH/c1-14(2,3)9-10-16-13(15)7-5-4-6-12-8-11-17-18-12;/h12H,4-11H2,1-3H3;1H/q+1;/p-1/t12-;/m1./s1
Name Type Language Details Access References
.ALPHA.-R-LIPOIC ACID CHOLINE ESTER CHLORIDE
Common Name
English  
UNR844 CHLORIDE
Code
English  
UMR-844 CHLORIDE
Code
English  
LACE CHLORIDE
Common Name
English  
EV06 CHLORIDE
Code
English  
EV-06 CHLORIDE
Code
English  
CHOLINE LIPOATE CHLORIDE
Common Name
English  
(R)-2-((5-(1,2-DITHIOLAN-3-YL)PENTANOYL)OXY)-N,N,N-TRIMETHYLETHAN-1-AMINIUM CHLORIDE
Systematic Name
English  
Code System Code Type Description Access References
CAS
1808266-58-1
Created by admin on Wed Aug 04 01:47:30 EDT 2021 , Edited by admin on Wed Aug 04 01:47:30 EDT 2021
PRIMARY
FDA UNII
6HBG94710Z
Created by admin on Wed Aug 04 01:47:30 EDT 2021 , Edited by admin on Wed Aug 04 01:47:30 EDT 2021
PRIMARY
PUBCHEM
92135660
Created by admin on Wed Aug 04 01:47:30 EDT 2021 , Edited by admin on Wed Aug 04 01:47:30 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:47:30 EDT 2021 , Edited by admin on Wed Aug 04 01:47:30 EDT 2021
Related Record Type Details Access References
METABOLITE ACTIVE -> PRODRUG
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:47:31 EDT 2021 , Edited by admin on Wed Aug 04 01:47:31 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:47:31 EDT 2021 , Edited by admin on Wed Aug 04 01:47:31 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: Cl
Created Wed Aug 04 01:47:30 EDT 2021
Created By admin
Last Edited Wed Aug 04 01:47:30 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 https://www.novartis.com/our-science/novartis-global-pipeline?field_pipeline_filing_date=All&field_pipeline_indication_legend[0]=2111&page=2 MANUFACTURER PRODUCT DESCRIPTION NOMEN PUBLIC_DOMAIN_RELEASE
2 CD SRS NOMEN
3 FDA_SRS SRS NOMEN
4 http://iovs.arvojournals.org/article.aspx?articleid=2269217 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
5 STN SRS NOMEN
6 PUBCHEM PUBCHEM NOMEN PUBLIC_DOMAIN_RELEASE
7 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:25:34 EDT 2017
8 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 01:47:30 EDT 2021
9 SRS import [6HBG94710Z] SRS NOMEN Fri Apr 28 15:25:34 EDT 2017
10 STN STN (SCIFINDER)
11 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 01:47:30 EDT 2021
12 http://iovs.arvojournals.org/article.aspx?articleid=2269218 SRS NOMEN

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 C13H26NO2S2+
Molecular Weight 292.481
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED