Cas no 66634-44-4 (Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI))
66634-44-4 structure
Product Name:Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI)
CAS No:66634-44-4
MF:C21H27ClN2O3
MW:390.903684854507
CID:513597
PubChem ID:198500
Update Time:2025-04-19
Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI)
- CORYNANTHINE HYDROCHLORIDE
- CORYNANTHINE HCL(RG)
- 17alpha-Hydroxyyohimban-16beta-carboxylic acid methyl ester
- A-carboxylic acid methyl ester
- A-Hydroxyyohimban-16
- Chlorhydrate de corynanthine
- EINECS 266-430-8
- Prestwick_751
- Rauhimbine
- (16beta,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester monohydrochloride
- (16b,17a)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester hydrochloride
- SMR000875219
- MLS001332624
- 123333-62-0
- Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester, hydrochloride
- 66634-44-4
- NS00085947
- SR-01000597890-1
- MLS001332623
- HMS1569D18
- Corynanthine (Hydrochloride)
- DTXSID801349023
- methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
- CORYNANTHINEHYDROCHLORIDE
- CHEMBL1330998
- SCHEMBL178026
- AKOS040753706
- SR-01000597890
- PIPZGJSEDRMUAW-VYDVLXQVSA-N
-
- Inchi： 1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19-;/m0./s1
- InChI Key： PIPZGJSEDRMUAW-VYDVLXQVSA-N
- SMILES： Cl.O[C@H]1CC[C@H]2CN3CCC4C5C=CC=CC=5NC=4[C@@H]3C[C@@H]2[C@@H]1C(=O)OC
Computed Properties
- Exact Mass: 390.17100
- Monoisotopic Mass: 390.171
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 555
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 65.6A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.31
- Boiling Point: 543°Cat760mmHg
- Flash Point: 282.2°C
- PSA: 65.56000
- LogP: 3.38700
- Solubility: Not determined
Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI) Security Information
- WGK Germany：3
- RTECS：ZG1025000
- Storage Condition：2-8°C
Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, monohydrochloride, (16b,17a)- (9CI) Related Literature
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