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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40N2O4.2ClH.7H2O
Molecular Weight 679.668
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMETINE HYDROCHLORIDE HEPTAHYDRATE

SMILES

O.O.O.O.O.O.O.Cl.Cl.[H][C@]4(C[C@H]1C[C@]2([H])N(CCC3=CC(OC)=C(OC)C=C23)C[C@@H]1CC)NCCC5=CC(OC)=C(OC)C=C45

InChI

InChIKey=SFEHUASGOSYSBB-HPXHXMBCSA-N
InChI=1S/C29H40N2O4.2ClH.7H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;;;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;7*1H2/t18-,21-,24+,25-;;;;;;;;;/m0........./s1

HIDE SMILES / InChI

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

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 C29H40N2O4
Molecular Weight 480.6389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:17:28 UTC 2023
Edited
by admin
on Fri Dec 15 18:17:28 UTC 2023
Record UNII
J636CC0C64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMETINE HYDROCHLORIDE HEPTAHYDRATE
EP   WHO-IP  
Common Name English
EMETINE HYDROCHLORIDE HEPTAHYDRATE [EP IMPURITY]
Common Name English
6',7',10,11-TETRAMETHOXYEMETAN DIHYDROCHLORIDE HEPTAHYDRATE
Common Name English
EMETINE DIHYDROCHLORIDE HEPTAHYDRATE
Common Name English
EMETINE HYDROCHLORIDE HEPTAHYDRATE [WHO-IP]
Common Name English
2H-BENZO(A)QUINOLIZINE, 3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-, HYDROCHLORIDE, HYDRATE (1:2:7), (2S,3R,11BS)-
Common Name English
EMETINI HYDROCHLORIDUM HEPTAHYDRATE [WHO-IP LATIN]
Common Name English
Code System Code Type Description
CAS
79300-08-6
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID10229609
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
FDA UNII
J636CC0C64
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
SMS_ID
100000076112
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
EVMPD
SUB11930MIG
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
PUBCHEM
71587290
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
EMETINE HYDROCHLORIDE HEPTAHYDRATE
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
PRIMARY Chemical name: Emetine dihydrochloride heptahydrate; 6',7',10,11-tetramethoxyemetan dihydrochloride heptahydrate; CAS Reg. No. 79300-08-6(heptahydrate). Description: A white or very slightly yellow, crystalline powder; odourless. Solubility: Freely soluble in water and ethanol (~750 g/l) TS. Category: Antiamoebic drug. Storage: Emetine hydrochloride should be kept in a tightly closed container, protected from light. Labelling: The designation on the container of Emetine hydrochloride should state whether the substance is the pentahydrate orthe heptahydrate.
CAS
7083-71-8
Created by admin on Fri Dec 15 18:17:28 UTC 2023 , Edited by admin on Fri Dec 15 18:17:28 UTC 2023
ALTERNATIVE
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE