FLURDIHYDROERGOTAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H36F3N5O5
Molecular Weight	651.6753
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
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=C(NC8=C7C(=CC=C8)[C@@]6([H])C5)C(F)(F)F)O[C@@]24O

InChI

InChIKey=FNVRIGFDIUORGI-XEMULFGESA-N

InChI=1S/C34H36F3N5O5/c1-32(31(45)42-25(14-18-8-4-3-5-9-18)30(44)41-13-7-12-26(41)34(42,46)47-32)39-29(43)19-15-21-20-10-6-11-23-27(20)22(16-24(21)40(2)17-19)28(38-23)33(35,36)37/h3-6,8-11,19,21,24-26,38,46H,7,12-17H2,1-2H3,(H,39,43)/t19-,21-,24-,25+,26+,32-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H36F3N5O5
Molecular Weight	651.6753
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:56:00 GMT 2023` Edited by `admin` on `Sat Dec 16 07:56:00 GMT 2023`
Record UNII	2UA31Z29H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLURDIHYDROERGOTAMINE

Official Name

English

flurdihydroergotamine [INN]

Common Name

English

5'.ALPHA.-BENZYL-12'-HYDROXY-2'-METHYL-2-(TRIFLUOROMETHYL)- (10.ALPHA.)-9,10-DIHYDROERGOTAMAN-3',6',18-TRIONE

Systematic Name

English

2-(TRIFLUOROMETHYL)DIHYDROERGOTAMINE

Common Name

English

Code System Code Type Description

SMS_ID

100000174632