ERGOMETRININE HYDROBROMIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23N3O2.BrH.H2O
Molecular Weight	424.332
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERGOMETRININE HYDROBROMIDE MONOHYDRATE

Structure Search

SMILES

O.Br.[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)C(=O)N[C@@H](C)CO

InChI

InChIKey=CWLOCKSMKSOXNO-RKGFBLNJSA-N

InChI=1S/C19H23N3O2.BrH.H2O/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;;/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1H;1H2/t11-,13-,17+;;/m0../s1

HIDE SMILES / InChI

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	C19H23N3O2
Molecular Weight	325.4048
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 08:33:23 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:23 GMT 2023`
Record UNII	CAM260B685
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOMETRININE HYDROBROMIDE MONOHYDRATE

Common Name

English

ERGOLINE-(8.ALPHA.)-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-, MONOHYDROBROMIDE, MONOHYDRATE

Common Name

English

ERGOMETRININE HYDROBROMIDE MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

CAM260B685

Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023

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CAS

6415-91-4

Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023

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PUBCHEM

76966714

Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023

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MERCK INDEX

m4981

Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023

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Merck Index