C14H29NO3.ClH Components: 2 Component RN: 474645-22-2 Heptanoic acid, 3- methoxy-5-methyl-4-(methylamino)-, 1,1-dimethy lethyl ester, hydrochloride (1:1), (3R,4S,5S)- (ACI)
| Key Physical Properties |
Value |
Condition |
| Molecular Weight |
295.85 |
- |
Canonical SMILES Cl.O=C(OC(C)(C)C)CC(OC)C(NC)C(C)CC
Isomeric SMILES [C@@H]([C@@H](CC(OC(C)(C)C)=O)OC)([C@H](CC)C)NC.Cl
InChI
InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1
InChI Key
JRXGCIIOQALIMZ-LWEGJDAASA-N
2 Other Names for this Substance
Heptanoic acid, 3- methoxy-5-methyl-4-(methylamino)-, 1,1-dimethylethyl ester, hydrochloride, (3R,4S,5S)- (9CI); Heptanoic acid, 3- methoxy-5-methyl-4-(methylamino)-, 1,1-dimethylethyl ester, hydrochloride, [3R-(3R*,4S*,5S*)]- (ZCI)
| Properties available |
| Chemical |
| Lipinski |
Chemical
| Property | Value |
Condition |
Source |
| Molecular Weight | 295.85 | ||
Lipinski
| Property | Value |
Condition |
Source |
| Molecular Weight | 295.85 | ||
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