8-HYDROXYERGOTAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H35N5O6
Molecular Weight	597.6609
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C[C@@](O)(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=JGOTUAOHJNQELB-JVPLRJERSA-N

InChI=1S/C33H35N5O6/c1-31(30(41)38-25(14-19-8-4-3-5-9-19)28(39)37-13-7-12-26(37)33(38,43)44-31)35-29(40)32(42)16-22-21-10-6-11-23-27(21)20(17-34-23)15-24(22)36(2)18-32/h3-6,8-11,16-17,24-26,34,42-43H,7,12-15,18H2,1-2H3,(H,35,40)/t24-,25+,26+,31-,32+,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H35N5O6
Molecular Weight	597.6609
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 22:33:37 GMT 2025` Edited by `admin` on `Mon Mar 31 22:33:37 GMT 2025`
Record UNII	1A7852J6VH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOTAMINE TARTRATE IMPURITY A [EP IMPURITY]

Preferred Name

English

8-HYDROXYERGOTAMINE

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 8,12'-DIHYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.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)-9-HYDROXY-7-METHYL-4,6,6A,7,8,9-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

1A7852J6VH

Created by admin on Mon Mar 31 22:33:37 GMT 2025 , Edited by admin on Mon Mar 31 22:33:37 GMT 2025

PRIMARY

PUBCHEM

102145981

Created by admin on Mon Mar 31 22:33:37 GMT 2025 , Edited by admin on Mon Mar 31 22:33:37 GMT 2025

PRIMARY

CAS

72170-28-6

Created by admin on Mon Mar 31 22:33:37 GMT 2025 , Edited by admin on Mon Mar 31 22:33:37 GMT 2025

PRIMARY

Related Record Type Details


					MRU5XH3B48

ERGOTAMINE TARTRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: