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Details

Stereochemistry RACEMIC
Molecular Formula 2C17H23NO3.H2O.H2O4S
Molecular Weight 694.833
Optical Activity ( + / - )
Defined Stereocenters 6 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROPINE SULFATE

SMILES

O.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=JPKKQJKQTPNWTR-CHYDPLAESA-N
InChI=1S/2C17H23NO3.H2O4S.H2O/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);1H2/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
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:59:16 UTC 2023
Edited
by admin
on Fri Dec 15 16:59:16 UTC 2023
Record UNII
03J5ZE7KA5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROPINE SULFATE
EP   MART.   ORANGE BOOK   USP   USP-RS   VANDF   WHO-IP  
Common Name English
ATROPINI SULFAS [WHO-IP LATIN]
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(±)-, SULFATE (2:1) (SALT), MONOHYDRATE
Systematic Name English
ATROPINUM SULPHURICUM
HPUS  
Common Name English
ATROPINE SULFATE [WHO-IP]
Common Name English
ATROPINE SULFATE HYDRATE [JAN]
Common Name English
ATROPINE SULFATE COMPONENT OF LOW-QUEL
Common Name English
ATROPINE SULFATE [ORANGE BOOK]
Common Name English
ATROPINE SULFATE COMPONENT OF LONOX
Common Name English
ATROPINE SULPHATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(±)-, SULPHATE (2:1) (SALT), MONOHYDRATE
Official Name English
LONOX COMPONENT ATROPINE SULFATE
Common Name English
ATROPINE SULFATE MONOHYDRATE
MI   WHO-DD  
Common Name English
ATROPINE SULFATE COMPONENT OF COLONAID
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (±)-TROPATE (ESTER), SULPHATE (2:1) (SALT) MONOHYDRATE
Systematic Name English
ATROPINE SULFATE COMPONENT OF LOMANATE
Common Name English
ISOPTO ATROPINE
Brand Name English
ATROPINE SULFATE [USP MONOGRAPH]
Common Name English
ATROPINE SULFATE COMPONENT OF LOMOTIL
Common Name English
DI-ATRO COMPONENT ATROPINE SULFATE
Common Name English
LO-TROL COMPONENT ATROPINE SULFATE
Common Name English
ATROPINE SULFATE COMPONENT OF ENLON-PLUS
Common Name English
NSC-755889
Code English
ATROPINE SULFATE COMPONENT OF MOTOFEN
Common Name English
ATROPINE SULFATE HYDRATE
JAN  
Common Name English
MOTOFEN COMPONENT ATROPINE SULFATE
Common Name English
ATROPINE SULFATE COMPONENT OF LO-TROL
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)- (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, SULFATE (2:1) (SALT), MONOHYDRATE
Systematic Name English
SYD-101
Code English
COLONAID COMPONENT ATROPINE SULFATE
Common Name English
ENLON-PLUS COMPONENT ATROPINE SULFATE
Common Name English
ATROPINE SULFATE [USP-RS]
Common Name English
ATROPINE SULFATE [VANDF]
Common Name English
ATROPINE SULFATE COMPONENT OF DI-ATRO
Common Name English
ATROPT
Brand Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)- (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, SULPHATE (2:1) (SALT), MONOHYDRATE
Systematic Name English
(±)-ENDO-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL .ALPHA.-(HYDROXYMETHYL)BENZENEACETATE SULFATE (2:1) (SALT) MONOHYDRATE
Systematic Name English
ATROPISOL
Brand Name English
ATROPINE SULFATE [MART.]
Common Name English
LOMOTIL COMPONENT ATROPINE SULFATE
Common Name English
LOGEN COMPONENT ATROPINE SULFATE
Common Name English
Atropine sulfate monohydrate [WHO-DD]
Common Name English
ATROPINE SULFATE MONOHYDRATE [MI]
Common Name English
ATROPINE SULFATE [EP MONOGRAPH]
Common Name English
ATROPINUM SULPHURICUM [HPUS]
Common Name English
LOW-QUEL COMPONENT ATROPINE SULFATE
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (±)-TROPATE (ESTER), SULFATE (2:1) (SALT) MONOHYDRATE
Systematic Name English
ATROPINE SULFATE COMPONENT OF LOGEN
Common Name English
LOMANATE COMPONENT ATROPINE SULFATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
CFR 21 CFR 310.533
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT000281
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
FDA UNII
03J5ZE7KA5
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
SMS_ID
100000143430
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
RS_ITEM_NUM
1045009
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID3040724
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
NCI_THESAURUS
C2744
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
CAS
5908-99-6
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
EVMPD
SUB00625MIG
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
DAILYMED
03J5ZE7KA5
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
EVMPD
SUB120273
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
ATROPINE SULFATE
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY Description: Colourless crystal or a white, crystalline powder; odourless. Solubility: Soluble in less than 1 part of water; freely soluble in ethanol (~750 g/l) TS; practically insoluble in ether R and benzene R. Category: Cholinergic blocking agent (parasympatholytic). Storage: Atropine sulfate should be kept in a tightly closed container, protected from light. Additional information: Atropine sulfate is very poisonous; it effloresces in dry air; it is slowly affected by light. Definition: Atropine sulfate contains not less than 98.5% and not more than 101.0% of (C17H23NO3)2,H2SO4, calculated with reference to the dried substance.
ChEMBL
CHEMBL517712
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
NSC
755889
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY
EVMPD
SUB126811
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
ALTERNATIVE
MERCK INDEX
m2136
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY Merck Index
RXCUI
153971
Created by admin on Fri Dec 15 16:59:16 UTC 2023 , Edited by admin on Fri Dec 15 16:59:16 UTC 2023
PRIMARY RxNorm
Related Record Type Details
Structure of ATROPINE SULFATE ANHYDROUS
ANHYDROUS->SOLVATE
Structure of ATROPINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of TROPIC ACID, (-)-
IMPURITY -> PARENT
Structure of LITTORINE
IMPURITY -> PARENT
Structure of NORATROPINE
IMPURITY -> PARENT
Structure of TROPIC ACID, (+)-
IMPURITY -> PARENT
Structure of APOATROPINE
IMPURITY -> PARENT
Structure of TROPIC ACID
IMPURITY -> PARENT
Structure of SCOPOLAMINE
IMPURITY -> PARENT
Structure of LITTORINE, (2RS)-
IMPURITY -> PARENT
Structure of 7-HYDROXYHYOSCYAMINE
IMPURITY -> PARENT
Structure of 6-HYDROXYHYOSCYAMINE
IMPURITY -> PARENT
Related Record Type Details
Structure of ATROPINE
ACTIVE MOIETY
http://apps.who.int/phint/pdf/b/Jb.6.1.38.pdf
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