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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.BrH
Molecular Weight 384.265
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE HYDROBROMIDE ANHYDROUS

SMILES

Br.[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=WTGQALLALWYDJH-MOUKNHLCSA-N
InChI=1S/C17H21NO4.BrH/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;1H/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

Molecular Formula BrH
Molecular Weight 80.912
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 19:48:09 UTC 2023
Edited
by admin
on Fri Dec 15 19:48:09 UTC 2023
Record UNII
R3K67DRL3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPOLAMINE HYDROBROMIDE ANHYDROUS
Common Name English
NSC-61806
Code English
SCOPOLAMINE HYDROBROMIDE [MI]
Common Name English
6.BETA.,7.BETA.-EPOXY-1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (-)-TROPATE (ESTER) HYDROBROMIDE
Common Name English
Hyoscine hydrobromide [WHO-DD]
Common Name English
Code System Code Type Description
NSC
61806
Created by admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-050-6
Created by admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
PRIMARY
FDA UNII
R3K67DRL3J
Created by admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
PRIMARY
CAS
114-49-8
Created by admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID0032029
Created by admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY