U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30NO4
Molecular Weight 360.4672
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BUTYLSCOPOLAMINE

SMILES

CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@H](CO)C4=CC=CC=C4

InChI

InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO4
Molecular Weight 359.4593
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:44:20 GMT 2025
Edited
by admin
on Mon Mar 31 18:44:20 GMT 2025
Record UNII
2Z3E1OF81V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLSCOPOLAMINE
HSDB   WHO-DD  
Common Name English
3-OXA-9-AZONIATRICYCLO(3.3.1.0 SUP(2,4))NONANE,9-BUTYL-7-((2S)-3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9-METHYL-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-
Preferred Name English
N-BUTYLSCOPOLAMMONIUM CATION
Common Name English
Butylscopolamine [WHO-DD]
Common Name English
N-BUTYLSCOPOLAMMONIUM
Common Name English
N-BUTYLSCOPOLAMMONIUM ION
Common Name English
BUTYLSCOPOLAMINE [HSDB]
Common Name English
Classification Tree Code System Code
WHO-ATC A03BB01
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
NCI_THESAURUS C29704
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
WHO-VATC QA03DB04
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
WHO-ATC A03DB04
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
WHO-VATC QA03BB01
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID4048145
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
WIKIPEDIA
BUTYLSCOPOLAMINE
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
DAILYMED
2Z3E1OF81V
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
CHEBI
145701
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
HSDB
7642
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
RXCUI
1085787
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY RxNorm
NCI_THESAURUS
C83571
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
SMS_ID
100000086194
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
CAS
7182-53-8
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
FDA UNII
2Z3E1OF81V
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
EVMPD
SUB20624
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
DRUG BANK
DB09300
Created by admin on Mon Mar 31 18:44:20 GMT 2025 , Edited by admin on Mon Mar 31 18:44:20 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY