Cas no 76129-67-4 (Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI))
76129-67-4 structure
Product Name:Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI)
CAS No:76129-67-4
MF:C21H26N2O3
MW:354.442745685577
CID:573101
PubChem ID:156852
Update Time:2025-04-19
Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI)
- Ibogamine-18-carboxylic acid, 12-hydroxy-, methyl ester
- 10-hydroxycoronaridine
- SCHEMBL11889227
- Methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
- 76129-67-4
- CHEBI:146256
- Methyl 12-hydroxyibogamine-18-carboxylate
- DTXSID20997483
-
- Inchi： 1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-23(11-12)19(13)21)16-9-14(24)4-5-17(16)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3
- InChI Key： TUZCJNZERFWZAS-UHFFFAOYSA-N
- SMILES： OC1=CC=C2C(C3CCN4CC5CC(C4C(C5)(C(OC)=O)C=3N2)CC)=C1
Computed Properties
- Exact Mass: 354.194
- Monoisotopic Mass: 354.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.6?2
- XLogP3: 2.839
Experimental Properties
- Density: 1.32
- Boiling Point: 534.5°C at 760 mmHg
- Flash Point: 277.1°C
- Refractive Index: 1.665
Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI) Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
76129-67-4 (Ibogamine-18-carboxylicacid, 12-hydroxy-, methyl ester (9CI)) Related Products
- 16790-93-5(19(S)-Hydroxyconopharyngine)
- 467-77-6(Ibogamine-18-carboxylic Acid Methyl Ester)
- 510-22-5((-)-Voacangine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
