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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H107O48S8.7Na
Molecular Weight 2170.05
Optical Activity UNSPECIFIED
Defined Stereocenters 40 / 40
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Deoxy-6-(2-((methylcarboxy)ethyl)thio)-heptakis(6-deoxy-6-(2-carboxyethyl)thio)-?-cyclodextrin sodium salt

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COC(=O)CCSC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CSCCC([O-])=O)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CSCCC([O-])=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CSCCC([O-])=O)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CSCCC([O-])=O)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CSCCC([O-])=O)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CSCCC([O-])=O)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CSCCC([O-])=O)O[C@H]1[C@H](O)[C@H]2O

InChI

InChIKey=JSVZEGDOZCXVQH-JHZFXBDHSA-G
InChI=1S/C73H114O48S8.7Na/c1-105-41(88)9-17-129-25-33-65-49(96)57(104)73(113-33)120-64-32(24-128-16-8-40(86)87)111-71(55(102)47(64)94)118-62-30(22-126-14-6-38(82)83)109-69(53(100)45(62)92)116-60-28(20-124-12-4-36(78)79)107-67(51(98)43(60)90)114-58-26(18-122-10-2-34(74)75)106-66(50(97)42(58)89)115-59-27(19-123-11-3-35(76)77)108-68(52(99)44(59)91)117-61-29(21-125-13-5-37(80)81)110-70(54(101)46(61)93)119-63-31(23-127-15-7-39(84)85)112-72(121-65)56(103)48(63)95;;;;;;;/h26-33,42-73,89-104H,2-25H2,1H3,(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87);;;;;;;/q;7*+1/p-7/t26-,27-,28-,29-,30-,31-,32-,33-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-;;;;;;;/m1......./s1

HIDE SMILES / InChI

Molecular Formula C73H107O48S8
Molecular Weight 2009.122
Charge -7
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 40 / 40
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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 Wed Apr 02 19:09:21 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:21 GMT 2025
Record UNII
H4FDJ7B2EU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Deoxy-6-(2-((methylcarboxy)ethyl)thio)-heptakis(6-deoxy-6-(2-carboxyethyl)thio)-?-cyclodextrin sodium salt
Preferred Name English
Code System Code Type Description
CAS
2412952-99-7
Created by admin on Wed Apr 02 19:09:21 GMT 2025 , Edited by admin on Wed Apr 02 19:09:21 GMT 2025
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FDA UNII
H4FDJ7B2EU
Created by admin on Wed Apr 02 19:09:21 GMT 2025 , Edited by admin on Wed Apr 02 19:09:21 GMT 2025
PRIMARY