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

CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)C(F)(F)F)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O

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 `Mon Mar 31 21:46:27 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:27 GMT 2025`
Record UNII	2UA31Z29H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLURDIHYDROERGOTAMINE

Official Name

English

flurdihydroergotamine [INN]

Preferred 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