DIABOLINE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N2O3.ClH.H2O
Molecular Weight	406.903
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIABOLINE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.[H][C@]12C[C@@]3([H])C4=CCO[C@@H](O)[C@@]3([H])[C@]5([H])N(C(C)=O)C6=CC=CC=C6[C@]15CC[N@]2C4

InChI

InChIKey=KDRGNMOICNLMJX-AFNJCVDQSA-N

InChI=1S/C21H24N2O3.ClH.H2O/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22;;/h2-6,14,17-20,25H,7-11H2,1H3;1H;1H2/t14-,17-,18+,19-,20+,21+;;/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	C21H24N2O3
Molecular Weight	352.4269
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:18:32 GMT 2023` Edited by `admin` on `Sat Dec 16 05:18:32 GMT 2023`
Record UNII	XY05C4Z5YI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIABOLINE HYDROCHLORIDE MONOHYDRATE

Common Name

English

ETHANONE, 1-((4S,17R)-17-HYDROXY-19,20-DIDEHYDRO-17,18-EPOXYCURAN-1-YL)-, HYDROCHLORIDE, HYDRATE (1:1:1)

Common Name

English

DIABOLINE HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

CURAN-17-OL, 1-ACETYL-19,20-DIDEHYDRO-17,18-EPOXY-, MONOHYDROCHLORIDE, MONOHYDRATE, (17R)-

Common Name

English

Code System Code Type Description

MERCK INDEX

m4232

Created by admin on Sat Dec 16 05:18:32 GMT 2023 , Edited by admin on Sat Dec 16 05:18:32 GMT 2023

PRIMARY

Merck Index

FDA UNII

XY05C4Z5YI

Created by admin on Sat Dec 16 05:18:32 GMT 2023 , Edited by admin on Sat Dec 16 05:18:32 GMT 2023

PRIMARY

PUBCHEM

73425435

Created by admin on Sat Dec 16 05:18:32 GMT 2023 , Edited by admin on Sat Dec 16 05:18:32 GMT 2023

PRIMARY

CAS

25378-44-3

Created by admin on Sat Dec 16 05:18:32 GMT 2023 , Edited by admin on Sat Dec 16 05:18:32 GMT 2023

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Related Record Type Details


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DIABOLINE HYDROCHLORIDE

ANHYDROUS->SOLVATE