Dihydroergocristine

Test Ligands Values Explained

Test Ligand ID - A unique identifier for the test ligand
Ligand Name - Name of the test ligand

Test Ligand ID2784
Ligand NameDihydroergocristine
PubMed Compound Id107715
StructureProduct Image
Molecular FormulaC35H41N5O5
Molecular Weight611.7
SMILESCC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
SynonymsDihydroergocristine
17479-19-5
9,10-Dihydroergocristine
Dihydroergocristin
GNF-Pf-3462
Ergocristine, 9,10-dihydro-
CCRIS 4027
EINECS 241-493-4
UNII-05D48LUM4Z
05D48LUM4Z
DTXSID3046322
CHEBI:59912
Dihydroergocristine (BAN)
DTXCID1026322
DIHYDROERGOCRISTINE [VANDF]
DIHYDROERGOCRISTINE [WHO-DD]
Dihydroergocristine Monomesylate
Erotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-
5'-Benzyl-9,10-dihydro-12'-hydroxy-2'-isopropyl-3',6',18-ergotamantrion
9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion
9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion [IUPAC]
(10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion (IUPAC)
N-(7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.0^(2,6))dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.0^(2,7).0^(12,16))hexadeca-1(16),9,12,14-tetraene-4-carboxamide
N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Ergotaman-3',6',18-trione, 9,10alpha-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'alpha-(phenylmethyl)-
241-493-4
deqituuqpicumr-klanvlausa-n
DHEC
CHEMBL601773
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
NCGC00017401-02
Diertine
CAS-17479-19-5
SR-01000075381
NCGC00163163-01
Prestwick0_000562
Prestwick1_000562
Prestwick2_000562
Prestwick3_000562
Lopac0_000409
BSPBio_000344
SCHEMBL146691
SPBio_002563
BPBio1_000380
SCHEMBL29232856
DEQITUUQPICUMR-HJPBWRTMSA-N
HMS2090H10
Tox21_112021
Tox21_113115
BDBM50390992
MSK001726
CCG-204502
DB13345
NCGC00017401-06
NCGC00017401-07
NCGC00017401-08
NCGC00017401-09
NCGC00017401-10
NCGC00023148-04
NCGC00023148-05
NCGC00023148-06
NS00002244
D07834
EN300-27074643
Q5276428
SR-01000075381-5
BRD-K97440753-066-03-3
BRD-K97440753-066-18-1
(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),9,12(16),13-tetraene-4-carboxamide
Created AtJan 13, 2025 2:47 pm
Updated AtJan 13, 2025 2:47 pm