MONOCROTALINE METHIODIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H26NO6.I
Molecular Weight	467.2959
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].C[C@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23

InChI

InChIKey=FXDAWNITMWEFJA-HQWALNEFSA-M

InChI=1S/C17H26NO6.HI/c1-10-14(19)24-12-6-8-18(4)7-5-11(13(12)18)9-23-15(20)17(3,22)16(10,2)21;/h5,10,12-13,21-22H,6-9H2,1-4H3;1H/q+1;/p-1/t10-,12+,13+,16+,17-,18?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	HI
Molecular Weight	127.91241
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C17H25NO6
Molecular Weight	339.3835
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:12:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:12:47 GMT 2025`
Record UNII	NQO2T02IDT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

20-NORCROTALANANIUM, 14,19-DIHYDRO-12,13-DIHYDROXY-4-METHYL-11,15-DIOXO-, IODIDE, (13.ALPHA.,14.ALPHA.)-

Preferred Name

English

MONOCROTALINE METHIODIDE

Common Name

English

MONOCROTALINE METHIODIDE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20163085