Dihydroergometrine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H25N3O2
Molecular Weight	327.4207
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@H](C)CO

InChI

InChIKey=OIUFQILCIFKJNZ-BYMSMCERSA-N

InChI=1S/C19H25N3O2/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/h3-5,8,11,13,15,17,20,23H,6-7,9-10H2,1-2H3,(H,21,24)/t11-,13+,15+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H25N3O2
Molecular Weight	327.4207
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:50:27 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:27 GMT 2023`
Record UNII	RP852B7XT3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dihydroergometrine

Common Name

English

N-[(2S)-1-hydroxypropan-2-yl]-6-methylergoline-8β-carboxamide

Systematic Name

English

(2R,4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide

Systematic Name

English

Codergocrine Mesilate Impurity F [Ep Impurity]

Common Name

English

9,10-Dihydroergometrine

Common Name

English

(8β)-N-[(1S)-2-Hydroxy-1-methylethyl]-6-methylergoline-8-carboxamide

Systematic Name

English

Ergoline-8-carboxamide, N-[(1S)-2-hydroxy-1-methylethyl]-6-methyl-

Systematic Name

English

Code System Code Type Description

CAS

62841-02-5

Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023

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FDA UNII

RP852B7XT3

Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023

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PUBCHEM

12940522

Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023

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