Compound Summary
Compound Information
Guanidinyl-naltrindole di-trifluoroacetate
Compound Name: | Guanidinyl-naltrindole di-trifluoroacetate |
Compound CID: | 9853099 |
Synonyms: | Guanidinyl-naltrindole di-trifluoroacetate GNTI TFA 219655-57-9 2-((4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-1,8a-dihydroxy-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro2,3-apyrido4,3-bcarbazol-11-yl)guanidine bis(2,2,2-trifluoroacetate) 5-Guanidinonaltrindole di(trifluoroacetate) More... |
Iupac Name: | 2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine;2,2,2-trifluoroacetic acid |
InChI: | InChI=1S/C27H29N5O3.2C2HF3O2/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13;2*3-2(4,5)1(6)7/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30);2*(H,6,7)/t20-,24+,26+,27-;;/m1../s1 |
InChIKey: | LGXCKWXJRPYRLW-AWCPWCJTSA-N |
Canonical Smiles: | C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
Isomeric Smiles: | C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
Molecular Weight: | 699.6 |
Molecular Formula: | C31H31F6N5O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Guanidinyl-naltrindole di-trifluoroacetate
Molecular Weight: | 699.6 |
Molecular Formula: | C31H31F6N5O7 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 15 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 49 |
Complexity: | 1010 |
Synonyms
Guanidinyl-naltrindole di-trifluoroacetate
| Guanidinyl-naltrindole di-trifluoroacetate | Guanidinyl-naltrindole di-trifluoroacetate |
|---|---|
Guanidinyl-naltrindole di-trifluoroacetate |
GNTI TFA |
219655-57-9 |
2-((4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-1,8a-dihydroxy-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro2,3-apyrido4,3-bcarbazol-11-yl)guanidine bis(2,2,2-trifluoroacetate) |
5-Guanidinonaltrindole di(trifluoroacetate) |
GNTI di-trifluoroacetate |
CHEMBL2374259 |
HMS3261P19 |
Tox21_500559 |
CCG-221863 |
LP00559 |
NCGC00093944-01 |
NCGC00261244-01 |
EU-0100559 |
G 3416 |
SR-01000075895 |
J-014378 |
SR-01000075895-1 |
Amino(azaniumyl)methylidene-(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo13.9.1.01,13.02,21.04,12.05,10.019,25pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-ylazanium;2,2,2-trifluoroacetate |
2-(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo13.9.1.01,13.02,21.04,12.05,10.019,25pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-ylguanidine;2,2,2-trifluoroacetic acid |
Experimental Data
Guanidinyl-naltrindole di-trifluoroacetate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -7 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Guanidinyl-naltrindole di-trifluoroacetate
Statistics Data
Guanidinyl-naltrindole di-trifluoroacetate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -7 | 1 | 1 |
Statistics Data Visualization
Guanidinyl-naltrindole di-trifluoroacetate
