EMETINE DIHYDROBROMIDE TETRAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40N2O4.2BrH.4H2O
Molecular Weight	714.524
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EMETINE DIHYDROBROMIDE TETRAHYDRATE

Structure Search

SMILES

O.O.O.O.Br.Br.[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=LMJKBLSYMQFRME-RQJPCFTOSA-N

InChI=1S/C29H40N2O4.2BrH.4H2O/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;4*1H2/t18-,21-,24+,25-;;;;;;/m0....../s1

HIDE SMILES / InChI

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

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

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 `Sat Dec 16 08:10:37 UTC 2023` Edited by `admin` on `Sat Dec 16 08:10:37 UTC 2023`
Record UNII	7TO1561517
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMETINE DIHYDROBROMIDE TETRAHYDRATE

Common Name

English

EMETAN, 6',7',10,11-TETRAMETHOXY-, DIHYDROBROMIDE, DIHYDRATE

Systematic 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)-, HYDROBROMIDE, HYDRATE (1:2:4), (2S,3R,11BS)-

Systematic Name

English

EMETINE, DIHYDROBROMIDE, TETRAHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

7TO1561517

Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023

PRIMARY

PUBCHEM

90479437

Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023

PRIMARY

CAS

6030-56-4

Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023

PRIMARY

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