17-(2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl)androst-4-ene-3,17-diol--water (1/2)
Basic information
- CAS
101915-06-4- Standard SMILES
CCCCNc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1.O.O- InChIKey
FVXUQCYMOHEQAI-OBDJZADISA-N- Molecular formula
- C26H44N2O4S
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 480.30217906
Names & identifiers
- Preferred name
- 17-(2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl)androst-4-ene-3,17-diol--water (1/2)
- IUPAC
- (3R,8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;dihydrate
Names & synonyms
DTXSID10906827101915-06-417-(2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl)androst-4-ene-3,17-diol--water (1/2)17-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol--water (1/2)RefChem:1057586DTXCID70133592217-beta-(2-(Butylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol dihydrateANDROST-4-ENE-3,17-alpha-DIOL, 17-(2-(BUTYLAMINO)-4-THIAZOLYL)-96113-08-517beta-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3alpha,17alpha-diol--water (1/2)
Database identifiers
- CAS
101915-06-4、96113-08-5- PubChem CID
- 57019
- DTXSID
DTXSID10906827
Properties
Computed structural properties
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…