EMETINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40N2O4.H2O4S
Molecular Weight	578.717
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[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=DKYWTNWQEWBWOL-MRFSYGAJSA-N

InChI=1S/C29H40N2O4.H2O4S/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;1-5(2,3)4/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;(H2,1,2,3,4)/t18-,21-,24+,25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
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 `Sat Dec 16 18:26:53 UTC 2023` Edited by `admin` on `Sat Dec 16 18:26:53 UTC 2023`
Record UNII	C75KA24QYC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EMETINE SULFATE

Common Name

English

EMETINE, SULFATE (1:1)

Common Name

English

EMETAN, 6',7',10,11-TETRAMETHOXY-, SULFATE (1:1)

Systematic Name

English

(2S,3R,11BS)-2-(((1R)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)METHYL)-3-ETHYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-BENZO(A)QUINOLIZINE,SULFURICACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80181023

Created by admin on Sat Dec 16 18:26:53 UTC 2023 , Edited by admin on Sat Dec 16 18:26:53 UTC 2023

PRIMARY

PUBCHEM

56841959

Created by admin on Sat Dec 16 18:26:53 UTC 2023 , Edited by admin on Sat Dec 16 18:26:53 UTC 2023

PRIMARY

CAS

26434-55-9

Created by admin on Sat Dec 16 18:26:53 UTC 2023 , Edited by admin on Sat Dec 16 18:26:53 UTC 2023

PRIMARY

FDA UNII

C75KA24QYC

Created by admin on Sat Dec 16 18:26:53 UTC 2023 , Edited by admin on Sat Dec 16 18:26:53 UTC 2023

PRIMARY

Related Record Type Details


					X8D5EPO80M

EMETINE

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					X8D5EPO80M

EMETINE

ACTIVE MOIETY