95E
Summary
Name: | Ethambutol |
Formula: | C10 H24 N2 O2 |
Formal charge: | 0 |
Formula weight: | 204.31 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[2-[[(2~{S})-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | AEUTYOVWOVBAKS-UWVGGRQHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](CO)NCCN[C@@H](CC)CO |
SMILES | CACTVS | 3.385 | CC[CH](CO)NCCN[CH](CC)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@H](CO)NCCN[C@@H](CC)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(CO)NCCNC(CC)CO |