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

Details

Stereochemistry MIXED
Molecular Formula C17H23NO4.ClH
Molecular Weight 341.83
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROPINE OXIDE HYDROCHLORIDE

SMILES

Cl.C[N+]1([O-])[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChIKey=QTRBWTMEQQSFLO-CUNABDNDSA-N
InChI=1S/C17H23NO4.ClH/c1-18(21)13-7-8-14(18)10-15(9-13)22-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16?,18?;

HIDE SMILES / InChI

Molecular Formula C17H23NO4
Molecular Weight 305.3688
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 05:43:28 UTC 2023
Edited
by admin
on Sat Dec 16 05:43:28 UTC 2023
Record UNII
BI6GBW93CA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROPINE OXIDE HYDROCHLORIDE
USAN  
USAN  
Official Name English
AMINOXYTROPINE TROPATE HYDROCHLORIDE
Common Name English
ATROPINE OXIDE HYDROCHLORIDE [USAN]
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, 8-OXIDE, HYDROCHLORIDE, ENDO-(±)-
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (±)-TROPATE(ESTER) 8-OXIDE HYDROCHLORIDE
Common Name English
Atropine n-oxide hydrochloride [WHO-DD]
Common Name English
ATROPINE OXIDE HCL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
Code System Code Type Description
CAS
4574-60-1
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL2146145
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
SMS_ID
100000085326
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
NCI_THESAURUS
C142939
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
FDA UNII
BI6GBW93CA
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
EVMPD
SUB00624MIG
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
ECHA (EC/EINECS)
224-959-1
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID5045384
Created by admin on Sat Dec 16 05:43:28 UTC 2023 , Edited by admin on Sat Dec 16 05:43:28 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY