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Details

Stereochemistry RACEMIC
Molecular Formula 2C17H23NO3.H2O4S
Molecular Weight 676.817
Optical Activity ( + / - )
Defined Stereocenters 6 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROPINE SULFATE ANHYDROUS

SMILES

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

InChI

InChIKey=HOBWAPHTEJGALG-AADVZIIPSA-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?;

HIDE SMILES / InChI

Molecular Formula C17H23NO3
Molecular Weight 289.3694
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:20:02 UTC 2023
Edited
by admin
on Fri Dec 15 18:20:02 UTC 2023
Record UNII
KAE4PSB0Z3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROPINE SULFATE ANHYDROUS
Common Name English
Atropine sulfate [WHO-DD]
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)- (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, SULFATE (2:1) (SALT)
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)- (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, SULFATE (2:1)
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (±)-TROPATE (ESTER), SULFATE (2:1) (SALT)
Common Name English
ATROPINE SULFATE ANHYDROUS [MI]
Common Name English
NSC-26671
Code English
Code System Code Type Description
FDA UNII
KAE4PSB0Z3
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-235-0
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
NSC
26671
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID3049419
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
CAS
55-48-1
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
MERCK INDEX
m2136
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
SMS_ID
100000085345
Created by admin on Fri Dec 15 18:20:02 UTC 2023 , Edited by admin on Fri Dec 15 18:20:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY