METERGOTAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H37N5O5
Molecular Weight	595.6881
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](C)(NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CN(C)C8=CC=CC(=C78)C6=C5)O[C@@]24O

InChI

InChIKey=SZUQJDJBJHBVBO-CTTKVJGISA-N

InChI=1S/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H37N5O5
Molecular Weight	595.6881
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:07:08 UTC 2023` Edited by `admin` on `Fri Dec 15 19:07:08 UTC 2023`
Record UNII	V7O172Q572
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METERGOTAMINE

Official Name

English

Metergotamine [WHO-DD]

Common Name

English

metergotamine [INN]

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-1,2'-DIMETHYL-5'-(PHENYLMETHYL)-,(5'.ALPHA.)-

Common Name

English

METHYLERGOTAMINE

Common Name

English

MY-25 FREE BASE

Code

English

1-METHYLERGOTAMINE

Common Name

English

Code System Code Type Description

INN

3356