DIHYDROERGOTAMINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H37N5O5
Molecular Weight	583.6774
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIHYDROERGOTAMINE

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=CNC8=C7C(=CC=C8)[C@@]6([H])C5)O[C@@]24O

InChI

InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N

InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H37N5O5
Molecular Weight	583.6774
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 `Fri Dec 15 15:49:17 UTC 2023` Edited by `admin` on `Fri Dec 15 15:49:17 UTC 2023`
Record UNII	436O5HM03C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIHYDROERGOTAMINE

Official Name

English

DHE

Common Name

English

NEOMIGRAN

Brand Name

English

MAP-0004

Code

English

DIHYDROERGOTAMINE [MART.]

Common Name

English

(10α)-5′α-benzyl-12′-hydroxy-2′-methyl-3′,6′,18-trioxo-9,10-dihydroergotaman

Systematic Name

English

MAP0004

Code

English

DIHYDROERGOTAMINE [VANDF]

Common Name

English

9,10-DIHYDROERGOTAMINE

Common Name

English

DIHYDROERGOTAMINE [MI]

Common Name

English

dihydroergotamine [INN]

Common Name

English

CODERGOCRINE MESILATE IMPURITY D [EP IMPURITY]

Common Name

English

(5′α,10α)-9,10-Dihydro-12′-hydroxy-2′-methyl-5′-(phenylmethyl)ergotaman-3′,6′,18-trione

Systematic Name

English

Dihydroergotamine [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QN02CA01

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

LIVERTOX

309

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

NCI_THESAURUS

C66884

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

NCI_THESAURUS

C2198

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

NDF-RT

N0000007621

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

WHO-ATC

N02CA01

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

NDF-RT

N0000175766

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

WHO-ATC

N02CA51

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

WHO-VATC

QN02CA51

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

NDF-RT

N0000007621

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C65387

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

DRUG CENTRAL

888

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

PUBCHEM

10531

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

RXCUI

3418

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

RxNorm

ChEMBL

CHEMBL1732

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

IUPHAR

121

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

EVMPD

SUB07139MIG

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

FDA UNII

436O5HM03C

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

SMS_ID

100000082606

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

MESH

D004087

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

DAILYMED

436O5HM03C

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

INN

2022

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

CHEBI

4562

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

MERCK INDEX

m4461

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

DIHYDROERGOTAMINE

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID6045614

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

CAS

511-12-6

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

DRUG BANK

DB00320

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

ECHA (EC/EINECS)

208-123-3

Created by admin on Fri Dec 15 15:49:18 UTC 2023 , Edited by admin on Fri Dec 15 15:49:18 UTC 2023

PRIMARY

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ACTIVE MOIETY

Amount: