ELETRIPTAN HYDROBROMIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O2S.BrH.H2O
Molecular Weight	481.446
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELETRIPTAN HYDROBROMIDE MONOHYDRATE

Structure Search

SMILES

O.Br.CN1CCC[C@@H]1CC2=CNC3=C2C=C(CCS(=O)(=O)C4=CC=CC=C4)C=C3

InChI

InChIKey=BORDVONYOHPTGR-JQDLGSOUSA-N

InChI=1S/C22H26N2O2S.BrH.H2O/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H;1H2/t19-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O2S
Molecular Weight	382.519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	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 09:08:01 UTC 2023` Edited by `admin` on `Sat Dec 16 09:08:01 UTC 2023`
Record UNII	4139X692FA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELETRIPTAN HYDROBROMIDE MONOHYDRATE

Common Name

English

1H-INDOLE, 3-(((2R)-1-METHYL-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)-, HYDROBROMIDE, HYDRATE (1:1:1)

Systematic Name

English

1H-INDOLE, 3-(((2R)-1-METHYL-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)-, MONOHYDROBROMIDE, MONOHYDRATE

Common Name

English

Code System Code Type Description

SMS_ID

100000175706