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Details

Stereochemistry MIXED
Molecular Formula C20H29NO6S
Molecular Weight 411.512
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULTROPONIUM

SMILES

C[N@@+]1(CCCS([O-])(=O)=O)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChIKey=PIWAVOGXKRZQCB-BHIXFJMTSA-N
InChI=1S/C20H29NO6S/c1-21(10-5-11-28(24,25)26)16-8-9-17(21)13-18(12-16)27-20(23)19(14-22)15-6-3-2-4-7-15/h2-4,6-7,16-19,22H,5,8-14H2,1H3/t16-,17+,18+,19?,21?

HIDE SMILES / InChI

Molecular Formula C20H29NO6S
Molecular Weight 411.512
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:29:16 GMT 2023
Edited
by admin
on Sat Dec 16 16:29:16 GMT 2023
Record UNII
8WNY0897ER
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULTROPONIUM
INN   MI  
INN  
Official Name English
A-118
Code English
ATROPINE SULFOBETAINE
Common Name English
SULTROPAN
Brand Name English
TROPYL TROPATE SULFOBETAINE
Common Name English
8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-8-METHYL-8-(3-SULFOPROPYL)-, INNER SALT, (3-ENDO)-
Common Name English
SULTROPONIUM [MI]
Common Name English
sultroponium [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
Code System Code Type Description
EVMPD
SUB10765MIG
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
FDA UNII
8WNY0897ER
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
INN
2406
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
SMS_ID
100000082979
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID501043105
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105491
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
CAS
15130-91-3
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
MERCK INDEX
m487
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C73137
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
MESH
C003368
Created by admin on Sat Dec 16 16:29:16 GMT 2023 , Edited by admin on Sat Dec 16 16:29:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY