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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H41NO9.ClH.2H2O
Molecular Weight 572.086
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACONINE HYDROCHLORIDE DIHYDRATE

SMILES

O.O.Cl.CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]5C[C@@]6(O)[C@H](O)[C@@H]5[C@]4(O)[C@@H](O)[C@@H]6OC)[C@H](C[C@H]2O)OC

InChI

InChIKey=HOKDGIWXBUZEMJ-WFMOIOHDSA-N
InChI=1S/C25H41NO9.ClH.2H2O/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24;;;/h11-21,27-31H,6-10H2,1-5H3;1H;2*1H2/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25-;;;/m1.../s1

HIDE SMILES / InChI

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

Molecular Formula C25H41NO9
Molecular Weight 499.5943
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:52:10 GMT 2025
Edited
by admin
on Mon Mar 31 17:52:10 GMT 2025
Record UNII
FVI93ET7ZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACONINE HYDROCHLORIDE DIHYDRATE
MI  
Common Name English
ACONINE HYDROCHLORIDE DIHYDRATE [MI]
Preferred Name English
ACONINE, HYDROCHLORIDE, DIHYDRATE
Common Name English
Code System Code Type Description
MERCK INDEX
m1377
Created by admin on Mon Mar 31 17:52:10 GMT 2025 , Edited by admin on Mon Mar 31 17:52:10 GMT 2025
PRIMARY Merck Index
FDA UNII
FVI93ET7ZH
Created by admin on Mon Mar 31 17:52:10 GMT 2025 , Edited by admin on Mon Mar 31 17:52:10 GMT 2025
PRIMARY
CAS
6168-69-0
Created by admin on Mon Mar 31 17:52:10 GMT 2025 , Edited by admin on Mon Mar 31 17:52:10 GMT 2025
PRIMARY
PUBCHEM
90478579
Created by admin on Mon Mar 31 17:52:10 GMT 2025 , Edited by admin on Mon Mar 31 17:52:10 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE