UCSF

ZINC00001370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 21 Yes

CAS Numbers: 29975-16-4 , 53180-72-6 , [29975-16-4]

Other Names:

29975-16-4

29975-16-4; C06981; Estazolam

29975-16-4; D00311; Estazolam (JP16/USAN/INN); ProSom (TN)

4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl

4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-

4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl; 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-; 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-; 8-Chloro-6-phenyl-4H-(1,2,4)triazolo-(4,3-a)(1,4)benzodiazepine

4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-

4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-

8-Chloro-6-phenyl-4H-(1,2,4)triazolo-(4,3-a)(1,4)benzodiazepine

8-Chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine

8-Chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine (IUPAC)

8-chloro-6-phenyl-4H-s-triazolo[4,3-(alpha)] [1,4]benzodiazepine

8-Chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Abbott 47631

Abbott Brand of Estazolam

ABBOTT-47631

AC1L1FJ8

AKOS005064373

BIDD:GT0481

BRN 1220868

C16H11ClN4

Cannoc

CCRIS 1955

CDCHDCWJMGXXRH-UHFFFAOYSA-

CHEBI:149847

CHEBI:4858

CHEMBL285674

CID3261

D 40TA

D-40TA

D00311

D004949

D40TA

DAP000930

DB01215

DEA No. 2756

E3638_SIGMA

EINECS 249-982-4

Esilgan

Estazolam (FDA

Estazolam (JP15/USAN/INN)

Estazolam [USAN:INN:JAN]

estazolam; estazolamum

Estazolamum

Estazolamum [INN-Latin]

Eurodin

Hormona Brand of Estazolam

I06-0352

InChI=1/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2

INN

JAN

Julodin

LS-7378

MFCD00867537

MolPort-003-941-274

NCGC00168250-01

Nemurel

NSC 290818

NSC290818

Nuctalon

ProSom

Prosom (TN)

Somnatrol

Takeda Brand of Estazolam

Tasedan

U 33737

UNII-36S3EQV54C

USAN)

WLN: T B576 BN DNN HN GHJ IR& LG

ZINC00001370

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 9.32 -11.16 0 4 0 43 294.745 1
Mid Mid (pH 6-8) 2.20 10.15 -34.88 1 4 1 45 295.753 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.23e-02 g/l DrugBank-Street Drugs

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )