Cas no 25447-66-9 (Dihydro α-Ergocryptine)
Dihydro α-Ergocryptine structure
Product Name:Dihydro α-Ergocryptine
CAS No:25447-66-9
MF:C32H43N5O5
MW:577.714328050613
CID:257401
PubChem ID:114948
Update Time:2025-04-19
Dihydro α-Ergocryptine Chemical and Physical Properties
Names and Identifiers
-
- Ergotaman-3',6',18-trione,9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,10a)-
- Dihydro α-Ergocryptine
- Dihydroergocryptine
- dihydro-alpha-ergocryptine
- Dihydroergocriptine
- Dihydroergokryptine
- EINECS 246-993-6
- alpha-Dihydroergocryptine
- EN300-27019944
- Dihydro
- BDBM50390994
- NCGC00183332-01
- 202229IR8Y
- CAS-25447-66-9
- (10alphaH)-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
- BDBM81453
- Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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
- (6Ar,9R,10aR)-N-[(1S,2R,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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
- A-Ergocryptine
- dihydro-.alpha.-ergocryptine
- DTXCID5028615
- PDSP2_001088
- 9,10-dihydro-alpha-ergocryptine
- 9,10-Dihydroergocryptine
- UNII-202229IR8Y
- SCHEMBL233373
- Dihydro a-Ergocryptine
- CHEMBL1743263
- CHEBI:59919
- 12'-HYDROXY-2'-(1-METHYLETHYL)-5'.ALPHA.-(2-METHYLPROPYL)-9,10.ALPHA.-DIHYDROERGOTAMAN-3',6',18-TRIONE
- Tox21_113078
- Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.,10.alpha.)-
- Q905717
- (2R,4R,7R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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
- 25447-66-9
- 12'-Hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione
- NS00008222
- CAS_159729
- NSC_159729
- D07835
- DTXSID5048689
- (6aR, 9R, 10aR)-N-[(1S, 2S, 4R, 7S)-2-hydroxy-7-(2-methylpropyl)-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
- DB11274
- Alpha-Dihydroergocriptine
-
- Inchi： 1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
- InChI Key： PBUNVLRHZGSROC-VTIMJTGVSA-N
- SMILES： O1[C@](C(C)C)(C(N2[C@@H](CC(C)C)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2C1)=O
Computed Properties
- Exact Mass: 577.32600
- Monoisotopic Mass: 577.32641949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 42
- Rotatable Bond Count: 5
- Complexity: 1130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 121.70000
- LogP: 3.17460
Dihydro α-Ergocryptine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D448560-0.5mg |
Dihydro α-Ergocryptine |
25447-66-9 | 0.5mg |
$ 150.00 | 2022-06-05 | ||
| TRC | D448560-2.5mg |
Dihydro a-Ergocryptine |
25447-66-9 | 2.5mg |
$ 851.00 | 2023-09-07 | ||
| TRC | D448560-5mg |
Dihydro a-Ergocryptine |
25447-66-9 | 5mg |
$ 1466.00 | 2023-09-07 | ||
| TRC | D448560-1mg |
Dihydro α-Ergocryptine |
25447-66-9 | 1mg |
1315.00 | 2021-08-14 | ||
| TRC | D448560-10mg |
Dihydro α-Ergocryptine |
25447-66-9 | 10mg |
10240.00 | 2021-08-14 | ||
| TRC | D448560-50mg |
Dihydro α-Ergocryptine |
25447-66-9 | 50mg |
15225.00 | 2021-08-14 | ||
| TRC | D448560-.5mg |
Dihydro a-Ergocryptine |
25447-66-9 | 5mg |
$181.00 | 2023-05-18 | ||
| Enamine | EN300-27019944-0.05g |
(2R,4R,7R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-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 |
25447-66-9 | 95.0% | 0.05g |
$2755.0 | 2025-03-20 | |
| A2B Chem LLC | AF62866-2.5mg |
dihydroergocryptine |
25447-66-9 | 2.5mg |
$936.00 | 2024-04-20 | ||
| A2B Chem LLC | AF62866-5mg |
dihydroergocryptine |
25447-66-9 | 5mg |
$1524.00 | 2024-04-20 |
Dihydro α-Ergocryptine Related Literature
-
Jing-Jing Chen,Meng-Yao Han,Ting Gong,Jin-Ling Yang,Ping Zhu RSC Adv. 2017 7 27384
-
Christiane Wallwey,Shu-Ming Li Nat. Prod. Rep. 2011 28 496
-
R. I. Brinkworth,E. J. Lloyd,P. R. Andrews Nat. Prod. Rep. 1988 5 363
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