SERPENTINE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21N2O3.Cl.H2O
Molecular Weight	402.871
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SERPENTINE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.[Cl-].[H][C@]12C[N+]3=C(C[C@]1([H])C(=CO[C@H]2C)C(=O)OC)C4=C(C=C3)C5=C(N4)C=CC=C5

InChI

InChIKey=UGUBTUODWHYFNG-MTGQHVAJSA-N

InChI=1S/C21H20N2O3.ClH.H2O/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;;/h3-8,11-12,15-16H,9-10H2,1-2H3;1H;1H2/t12-,15-,16+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C21H20N2O3
Molecular Weight	348.3951
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
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

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

PubMed

Title	Date	PubMed
Antipsychotic-like profile of alstonine.	1998 May	9610935
Antipsychotic profile of alstonine: ethnopharmacology of a traditional Nigerian botanical remedy.	1999	10412490
Cytochrome P450 2D6 (CYP2D6) inhibitory constituents of Catharanthus roseus.	2005 Jun	15930738

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:22 GMT 2023` Edited by `admin` on `Sat Dec 16 09:32:22 GMT 2023`
Record UNII	FLV96HHS77
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SERPENTINE HYDROCHLORIDE MONOHYDRATE

Common Name

English

SERPENTINE (ALKALOID) HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

OXAYOHIMBANIUM, 3,4,5,6,16,17-HEXADEHYDRO-16-(METHOXYCARBONYL)-19-METHYL-, CHLORIDE, MONOHYDRATE, (19.ALPHA.)-

Systematic Name

English

SERPENTINE (ALKALOID) HYDROCHLORIDE MONOHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

FLV96HHS77

Created by admin on Sat Dec 16 09:32:22 GMT 2023 , Edited by admin on Sat Dec 16 09:32:22 GMT 2023

PRIMARY

PUBCHEM

90479252

Created by admin on Sat Dec 16 09:32:22 GMT 2023 , Edited by admin on Sat Dec 16 09:32:22 GMT 2023

PRIMARY

MERCK INDEX

m9873

Created by admin on Sat Dec 16 09:32:22 GMT 2023 , Edited by admin on Sat Dec 16 09:32:22 GMT 2023

PRIMARY

Merck Index

CAS

6696-52-2

Created by admin on Sat Dec 16 09:32:22 GMT 2023 , Edited by admin on Sat Dec 16 09:32:22 GMT 2023

PRIMARY

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