Cas no 126594-73-8 (2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI))
![2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI) structure](https://ossimg.kuujia.com/scimg/127000/126594-73-8x500.png)
126594-73-8 structure
Product Name:2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI)
CAS No:126594-73-8
MF:C20H24N2O4
MW:356.415565490723
CID:97988
PubChem ID:71307282
Update Time:2025-04-18
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI)
- Vallesamine N-oxide
- 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-ox
- Methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0<sup>3,11</sup>.0<sup>4,9</sup>]heptadeca-3(11),4,6,8-tetraene-12-carboxylate 1-oxide
- validamycin B
- validamycin D
- validamycin H
- vallesamine Nb-oxide
- [ "" ]
- (5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide
- methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1-oxido-10-aza-1-azoniatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
- FS-10278
- 126594-73-8
- (5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6beta-methoxycarbonyl-2alpha,5-ethano-2H-azoc
-
- Inchi： 1S/C20H24N2O4/c1-3-13-10-22(25)9-8-16(13)20(12-23,19(24)26-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-,22?/m0/s1
- InChI Key： CWLUMLLPZBYHMO-QJWCMHSQSA-N
- SMILES： [O-][N+]12CC3C4C=CC=CC=4NC=3[C@](C(=O)OC)(CO)[C@H](/C(=C\C)/C1)CC2
Computed Properties
- Exact Mass: 356.17400
- Monoisotopic Mass: 356.17360725g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 609
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 80.4?2
Experimental Properties
- Color/Form: Powder
- PSA: 91.75000
- LogP: 2.32420
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | V98270-5mg |
Methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate 1-oxide |
126594-73-8 | ,HPLC≥98% | 5mg |
￥5600.0 | 2023-09-06 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN5219-1 mg |
Vallesamine N-oxide |
126594-73-8 | 1mg |
￥2835.00 | 2022-02-28 | ||
| TargetMol Chemicals | TN5219-5mg |
Vallesamine N-oxide |
126594-73-8 | 5mg |
￥ 3940 | 2024-07-19 | ||
| Cooke Chemical | M6256635-5mg |
VallesamineN-oxide |
126594-73-8 | 98% | 5mg |
RMB 2660.00 | 2025-02-21 | |
| TargetMol Chemicals | TN5219-5 mg |
Vallesamine N-oxide |
126594-73-8 | 98% | 5mg |
￥ 3,940 | 2023-07-10 | |
| TargetMol Chemicals | TN5219-1 mL * 10 mM (in DMSO) |
Vallesamine N-oxide |
126594-73-8 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 4040 | 2023-09-15 | |
| TargetMol Chemicals | TN5219-1 ml * 10 mm |
Vallesamine N-oxide |
126594-73-8 | 1 ml * 10 mm |
￥ 4040 | 2024-07-19 | ||
| A2B Chem LLC | AE41571-5mg |
(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide |
126594-73-8 | 98.5% | 5mg |
$702.00 | 2024-04-20 |
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI) Production Method
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
126594-73-8 (2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylicacid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester,2-oxide, [5S-(4E,5a,6b)]- (9CI)) Related Products
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