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

Details

Stereochemistry ABSOLUTE
Molecular Formula C70H126O56S7
Molecular Weight 2088.171
Optical Activity UNSPECIFIED
Defined Stereocenters 35 / 35
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CYCLODEXTRIN SULFOBUTYL ETHER

SMILES

O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]4O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]5O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]6O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]7O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]8O[C@H](COCCCCS(O)(=O)=O)[C@@H](O[C@H]1O[C@@H]2COCCCCS(O)(=O)=O)[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

InChI

InChIKey=DZLKUJDRGIBINH-ZMGQIDSOSA-N
InChI=1S/C70H126O56S7/c71-43-50(78)64-113-36(29-106-15-1-8-22-127(85,86)87)57(43)120-65-51(79)44(72)59(38(114-65)31-108-17-3-10-24-129(91,92)93)122-67-53(81)46(74)61(40(116-67)33-110-19-5-12-26-131(97,98)99)124-69-55(83)48(76)63(42(118-69)35-112-21-7-14-28-133(103,104)105)126-70-56(84)49(77)62(41(119-70)34-111-20-6-13-27-132(100,101)102)125-68-54(82)47(75)60(39(117-68)32-109-18-4-11-25-130(94,95)96)123-66-52(80)45(73)58(121-64)37(115-66)30-107-16-2-9-23-128(88,89)90/h36-84H,1-35H2,(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/t36-,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-,67-,68-,69-,70-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-CYCLODEXTRIN SULFOBUTYL ETHER
MI  
Common Name English
.BETA.-CYCLODEXTRIN SULFOBUTYL ETHER [MI]
Preferred Name English
SULFOBUTYLETHER .BETA.-CYCLODEXTRIN FREE ACID
Common Name English
HEPTAKIS-O-(4-SULFOBUTYL)-.BETA.-CYCLODEXTRIN
Common Name English
Code System Code Type Description
RXCUI
2565264
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY
CAS
165133-56-2
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY
MERCK INDEX
m3981
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY Merck Index
FDA UNII
H1HJ8WR7WG
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY
SMS_ID
100000086566
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY
DAILYMED
H1HJ8WR7WG
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY
PUBCHEM
71307542
Created by admin on Mon Mar 31 22:53:32 GMT 2025 , Edited by admin on Mon Mar 31 22:53:32 GMT 2025
PRIMARY