ERGOSTINE

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

CC[C@@]5(NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)C2=C1)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O

InChI

InChIKey=BOLCFGMGGWCOOE-CTTKVJGISA-N

InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)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/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/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 `Mon Mar 31 19:56:06 GMT 2025` Edited by `admin` on `Mon Mar 31 19:56:06 GMT 2025`
Record UNII	8RM45QOC5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOSTINE

Common Name

English

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

Preferred Name

English

(6AR,9R)-N-((2R,5S,10AS,10BS)-5-BENZYL-2-ETHYL-10B-HYDROXY-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-CARBOXAMIDE

Systematic Name

English

ERGOTAMINE TARTRATE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

12308959