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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C17H23NO3.H2O4S
Molecular Weight 676.817
Optical Activity ( - )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYOSCYAMINE SULFATE ANHYDROUS

SMILES

OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN4[C@H]5CC[C@@H]4C[C@@H](C5)OC(=O)[C@H](CO)C6=CC=CC=C6

InChI

InChIKey=HOBWAPHTEJGALG-XHJLRQJWSA-N
InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15+,16-;/m11./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H23NO3
Molecular Weight 289.3694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:39:11 UTC 2023
Edited
by admin
on Sat Dec 16 01:39:11 UTC 2023
Record UNII
OB570Z127K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYOSCYAMINE SULFATE ANHYDROUS
Common Name English
ANHYDROUS HYOSCYAMINE SULFATE [MART.]
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (-)-TROPATE (ESTER) SULFATE (2:1) (SALT)
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (3(S)-ENDO)-, SULFATE (2:1)
Common Name English
ANHYDROUS HYOSCYAMINE SULFATE
MART.  
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-644-6
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
RXCUI
1742407
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
FDA UNII
OB570Z127K
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
DAILYMED
OB570Z127K
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID001341118
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
CAS
620-61-1
Created by admin on Sat Dec 16 01:39:11 UTC 2023 , Edited by admin on Sat Dec 16 01:39:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY