ERGOTAMININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H35N5O5
Molecular Weight	581.6615
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O

InChI

InChIKey=XCGSFFUVFURLIX-BRMNWJGKSA-N

InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H35N5O5
Molecular Weight	581.6615
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 `Mon Mar 31 21:46:11 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:11 GMT 2025`
Record UNII	8A16V7W7F9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOTAMINE TARTRATE IMPURITY B [EP IMPURITY]

Preferred Name

English

ERGOTAMININE

Common Name

English

ERGOTAMININE [USP-RS]

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.,8.ALPHA.)-

Systematic Name

English

(6AR,9S)-N-((2R,5S,10AS,10BS)-5-BENZYL-10B-HYDROXY-2-METHYL-3,6-DIOXOOCTAHYDRO-8H-(1,3)OXAZOLO(3,2-A)PYRROLO(2,1-C)PYRAZIN-2-YL)-7-METHYL-4,6,6A,7,8,9-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXAMID

Systematic Name

English

ISOERGOTAMINE

Common Name

English

ERGOTAMININE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

8A16V7W7F9