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Details

Stereochemistry ACHIRAL
Molecular Formula C66H112O53S6.6Na
Molecular Weight 2083.892
Optical Activity UNSPECIFIED
Defined Stereocenters 35 / 35
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETADEX SULFOBUTYL ETHER SODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]12O[C@H](CO)[C@@]([H])(O[C@@]3([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O[C@@]4([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O[C@@]5([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O[C@@]6([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O[C@@]7([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O[C@@]8([H])O[C@H](COCCCCS([O-])(=O)=O)[C@@]([H])(O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O

InChI

InChIKey=VNDHXHMRJVTMTK-WZVRVNPQSA-H
InChI=1S/C66H118O53S6.6Na/c67-25-32-53-39(68)46(75)60(106-32)114-54-33(26-100-13-1-7-19-120(82,83)84)108-62(48(77)41(54)70)116-56-35(28-102-15-3-9-21-122(88,89)90)110-64(50(79)43(56)72)118-58-37(30-104-17-5-11-23-124(94,95)96)112-66(52(81)45(58)74)119-59-38(31-105-18-6-12-24-125(97,98)99)111-65(51(80)44(59)73)117-57-36(29-103-16-4-10-22-123(91,92)93)109-63(49(78)42(57)71)115-55-34(107-61(113-53)47(76)40(55)69)27-101-14-2-8-20-121(85,86)87;;;;;;/h32-81H,1-31H2,(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99);;;;;;/q;6*+1/p-6/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,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-;;;;;;/m1....../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C66H112O53S6
Molecular Weight 1945.954
Charge -6
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 35 / 35
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:45:34 UTC 2023
Edited
by admin
on Fri Dec 15 15:45:34 UTC 2023
Record UNII
2PP9364507
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETADEX SULFOBUTYL ETHER SODIUM
NF   USP-RS  
Common Name English
SULFOBUTYLETHER .BETA.-CYCLODEXTRIN
II  
Preferred Name English
.BETA.-CYCLODEXTRIN SULFONBUTYL ETHER, SODIUM SALT
Common Name English
.BETA.-CYCLODEXTRIN HEPTASULFOBUTYL ETHER SODIUM
Common Name English
SULFOBUTYLETHER .BETA.-CYCLODEXTRIN [II]
Common Name English
HEPTAKIS-O-(4-SULFOBUTYL)-.BETA.-CYCLODEXTRIN SODIUM
Common Name English
SBE-.BETA.-CD
Common Name English
BETADEX SULFOBUTYL ETHER SODIUM [USP-RS]
Common Name English
.BETA.-CYCLODEXTRIN SULFOBUTYL ETHER SODIUM
Common Name English
SULFOBUTYLETHER .BETA.-CYCLODEXTRIN SODIUM
Common Name English
SULFOBUTYLETHER .BETA.-CYCLODEXTRIN SODIUM SALT
Common Name English
CAPTISOL
II  
Common Name English
SBECD
Code English
BETADEX SULFOBUTYL ETHER SODIUM [NF]
Common Name English
SULFOBUTYL ETHER .BETA.-CYCLODEXTRIN SODIUM [MI]
Common Name English
CAPTISOL [II]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 771720
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
FDA ORPHAN DRUG 386612
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C80913
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
CAS
182410-00-0
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
PUBCHEM
131634907
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
MERCK INDEX
m3981
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY Merck Index
EVMPD
SUB20473
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
ALTERNATIVE
DAILYMED
2PP9364507
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
SMS_ID
100000085580
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
RS_ITEM_NUM
1065550
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
CONCEPT Industrial Aid
RXCUI
1426608
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
EVMPD
SUB31255
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY
FDA UNII
2PP9364507
Created by admin on Fri Dec 15 15:45:34 UTC 2023 , Edited by admin on Fri Dec 15 15:45:34 UTC 2023
PRIMARY