Vabicaserin Hydrochloride
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
Molecular Identity
Vabicaserin Hydrochloride
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
PubChem CID: 11521821
2D Structure
Properties
C15H21ClN2
Molecular Formula
264.79
Molecular Weight
g/mol
264.1393
Exact Mass
Da
15.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
291
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2CN3CCNCC4=C3C(=CC=C4)C2C1.ClIsomeric SMILES
SMILES: C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1.ClSynonyms(20)
Vabicaserin hydrochloride887258-94-8SCA-136620948-34-7SCA 136Vabicaserin hydrochloride [USAN]UNII-2759C7222C2759C7222CVabicaserin hydrochloride (USAN)VABICASERIN HYDROCHLORIDE [WHO-DD](-)-(9AR*,12AS*)-4,5,6,7,9,9A,10,11,12,12A-DECAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE MONOHYDROCHLORIDECYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE, 4,5,6,7,9,9A,10,11,12,12A-DECAHYDRO-, HYDROCHLORIDE (1:1), (9AR,12AS)-CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE, 4,5,6,7,9,9A,10,11,12,12A-DECAHYDRO-, MONOHYDROCHLORIDE, (9AR,12AS)-REL-(-)-Cyclopenta[4,5]pyrido[3,2,1-jk][1,4]benzodiazepine, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, hydrochloride (1:1), (9aR,12aS)-RefChem:193456
Data from PubChem (NCBI)
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