SUGAMMADEX

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H112O48S8
Molecular Weight	2002.151
Optical Activity	UNSPECIFIED
Defined Stereocenters	40 / 40
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SUGAMMADEX

Structure Search

SMILES

[H][C@@]12O[C@H](CSCCC(O)=O)[C@@H](O[C@@]3([H])O[C@H](CSCCC(O)=O)[C@@H](O[C@@]4([H])O[C@H](CSCCC(O)=O)[C@@H](O[C@@]5([H])O[C@H](CSCCC(O)=O)[C@@H](O[C@@]6([H])O[C@H](CSCCC(O)=O)[C@@]([H])(O[C@H]7O[C@H](CSCCC(O)=O)[C@@]([H])(O[C@H]8O[C@H](CSCCC(O)=O)[C@@]([H])(O[C@H]9O[C@H](CSCCC(O)=O)[C@@H](O1)[C@H](O)[C@H]9O)[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=WHRODDIHRRDWEW-VTHZAVIASA-N

InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,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-,71-,72-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C72H112O48S8
Molecular Weight	2002.151
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	40 / 40
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:00 UTC 2023` Edited by `admin` on `Fri Dec 15 16:32:00 UTC 2023`
Record UNII	361LPM2T56
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SUGAMMADEX

Official Name

English

.GAMMA.-CYCLODEXTRIN, 6A,6B,6C,6D,6E,7F,6G,6H-OCTAKIS-S-(2-CARBOXYETHYL)-6A,6B,6C,6D,6E,7F,6G,6H-OCTATHIO-

Common Name

English

Sugammadex [WHO-DD]

Common Name

English

6,6',6'',6''',6'''',6''''',6'''''',6'''''''-OCTAKIS-S-(2-CARBOXYLATOETHYL)-6,6',6'',6''',6'''',6''''',6'''''',6'''''''-OCTATHIOCYCLO-.ALPHA.-(1->4)-D-OCTAGLUCOPYRANOSIDE

Common Name

English

SUGAMMADEX [USAN]

Common Name

English

SUGAMMADEX [EMA EPAR]

Common Name

English

SUGAMMADEX [MI]

Common Name

English

sugammadex [INN]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QV03AB35

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

WHO-ATC

V03AB35

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

NCI_THESAURUS

C26170

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C80629

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

RXCUI

1726988

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

RxNorm

CAS

343306-71-8

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

PUBCHEM

6918585

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

WIKIPEDIA

SUGAMMADEX

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

NDF-RT

N0000168522

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

gamma-Cyclodextrins [Chemical/Ingredient]

FDA UNII

361LPM2T56

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

EVMPD

SUB26695

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

MESH

C453980

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

DRUG CENTRAL

4233

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

MERCK INDEX

m10289

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID90895043

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

DRUG BANK

DB06206

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

INN

8528

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

SMS_ID

100000089639

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

CHEBI

90953

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

ChEMBL

CHEMBL2111107

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

USAN

CD-10

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

LACTMED

Sugammadex

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

DAILYMED

361LPM2T56

Created by admin on Fri Dec 15 16:32:00 UTC 2023 , Edited by admin on Fri Dec 15 16:32:00 UTC 2023

PRIMARY

Related Record Type Details

5438723848

LIGAND->BINDER

Amount:


					361LPM2T56

EXCRETED UNCHANGED

Comments:

On an average, more than 90% of sugammadex was recovered in urine within 24 hours. Other PK studies also showed that 65-97% of the dose was recovered in urine. The differences in urine excretion percentage may be partly due to error associated with urine sample collection.

Qualification:

URINE

Amount:


					WRE554RFEZ

LIGAND->BINDER

Amount:


					ERJ6X2MXV7

SUGAMMADEX SODIUM

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					361LPM2T56

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC