BIAdb Tetrandrine and Streptomycin 3380

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BIAdb Tetrandrine and Streptomycin 3380
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 488230
Chemical data
Formula C59H81N9O18
Mol. mass 1204.32394
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

1204.32394

*Exact Mass

1203.569957

*Molecular Formula

C59H81N9O18

*IUPAC NAME

N/A

*Canonical Smiles

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*Isomeric Smiles

C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

*XLogP

N/A

*Hydrogen bond donor

12

*Hydrogen bond acceptor

27

*Rotational Bond Count

13

*Topological Polar Surface Area

398

External Links

Link to BIAdb Database

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