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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4
Molecular Weight 303.3529
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE

SMILES

[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO)C4=CC=CC=C4

InChI

InChIKey=STECJAGHUSJQJN-FWXGHANASA-N
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

HIDE SMILES / InChI
Molecular Formula C17H21NO4
Molecular Weight 303.3529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:32:48 UTC 2023
Edited
by admin
on Fri Dec 15 16:32:48 UTC 2023
Record UNII
DL48G20X8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPOLAMINE
HSDB   MI   ORANGE BOOK   VANDF  
Common Name English
HYOSCINE [EP MONOGRAPH]
Common Name English
SCOPOLAMINE [MI]
Common Name English
SCOPOLAMINE [USP IMPURITY]
Common Name English
SCOPOLAMINE [ORANGE BOOK]
Common Name English
HYOSCINE [EP IMPURITY]
Common Name English
HYOSCINE
EP   MART.   WHO-DD  
Common Name English
SCOPOLAMINE [VANDF]
Common Name English
BENZENEACETIC ACID, .ALPHA.(HYDROXYMETHYL)-,(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (.ALPHA.S)-
Common Name English
6.BETA.,7.BETA.-EPOXY-1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (-)-TROPATE (ESTER)
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-
Common Name English
(1R,2R,4S,5S,7S)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATE
Common Name English
HYOSCINE [MART.]
Common Name English
ATROPINE SULFATE IMPURITY F [EP IMPURITY]
Common Name English
SCOPOLAMINE [HSDB]
Common Name English
Hyoscine [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC A04AD51
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
WHO-ATC A04AD01
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
WHO-ATC N05CM05
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
CFR 21 CFR 310.533
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
WHO-VATC QA04AD51
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
NDF-RT N0000175574
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
NDF-RT N0000175370
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
WHO-ATC S01FA02
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
WHO-ATC S01BB01
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
LIVERTOX 875
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
WHO-VATC QS01FA02
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
WHO-VATC QN05CM05
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
WHO-VATC QA04AD01
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
NCI_THESAURUS C29706
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
Code System Code Type Description
DRUG CENTRAL
2424
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
DAILYMED
DL48G20X8X
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
LACTMED
Scopolamine
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
FDA UNII
DL48G20X8X
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
CHEBI
16794
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
IUPHAR
330
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID6023573
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
EVMPD
SUB14152MIG
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
WIKIPEDIA
SCOPOLAMINE
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL1187846
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
DRUG BANK
DB00747
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
NCI_THESAURUS
C47712
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-090-3
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
MERCK INDEX
m9813
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
PRIMARY Merck Index
RXCUI
9601
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
PRIMARY RxNorm
CAS
51-34-3
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
HSDB
4074
Created by admin on Fri Dec 15 16:32:48 UTC 2023 , Edited by admin on Fri Dec 15 16:32:48 UTC 2023
PRIMARY
SMS_ID
100000092042
Created by admin on Fri Dec 15 16:32:49 UTC 2023 , Edited by admin on Fri Dec 15 16:32:49 UTC 2023
PRIMARY
Related Record Type Details
Structure of SCOPOLAMINE SULFATE
SALT/SOLVATE -> PARENT
ATROPA BELLA-DONNA LEAF
PARENT -> CONSTITUENT ALWAYS PRESENT
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Structure of N-BUTYRYL SCOPOLAMINE
PRODRUG -> METABOLITE ACTIVE
Structure of SCOPOLAMINE GLUCURONIDE
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of METHSCOPOLAMINE BROMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ATROPINE SULFATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of HYOSCYAMINE SULFATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of SCOPOLAMINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
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