UCSF

ZINC03831581

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 26 No

Popular Name: Trimethaphan Trimethaphan

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68-91-7 , 7187-66-8

Other Names:

(+)-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)-thiolium 2-oxo-10-bornanesulfonate (1:1); 1,3-Dibenzyldecahydro-2-oxo-imidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate; 1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 1

1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium

1,3-dibenzyl-4,6,7,8,8a,8b-hexahydro-3aH-thieno[5,6]thieno[1,2-b]imidazol-5-ium-2-one; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate

542

68-91-7; Arfonad (TN); D00612; Trimetaphan camsilate (JAN/INN); Trimetaphan camsylate

7187-66-8

7187-66-8; C07174; Trimethaphan

AC1L2MN5

AC1Q6LI1

Arfonad

BAN

C07174

camsilate de trimetaphan; cansilato de trimetafano; trimetaphan camsilate; trimetaphani camsilas

CHEBI:9728

CID23576

D014294

DAP001143

DB01116

DCF

FDA)

Imidazo(4,5-c)thieno(1,2-a)thiolium, decahydro-1,3-dibenzyl-2-oxo-, 2-oxo-10-boranesulfonate, l-; LS-80693; NU-2221; l-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate; l-3,4-(1',3'-Dibenzyl-2'-keto-imidazolido)-1,2-

INN

JAN)

JAN); Trimethaphan camsylate (FDA

JAN); Trimethaphan Camsylate (USP

LS-187055

LS-187792

MFCD01720171

PDSP1_000122

PDSP2_000122

Thieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl)-

Thieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl)- (VAN)

Thimethaphan

Thimethaphan;Trimetaphan;Trimetaphanum

Trimetaphan

Trimetaphan Camsilate

Trimetaphan Camsilate (BAN

Trimetaphan Camsilate (DCF

Trimetaphan; Trimetaphanum; Trimethaphan

Trimetaphanum

Trimethaphan Camsylate

Trimethaphan Camsylate (FDA

USP)

USP); Trimetaphan Camsilate (BAN

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) 0.66 1.26 -11.57 0 3 0 23 365.522 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.245 Bitter DB
ALOGPS_SOLUBILITY 6.65e-03 g/l DrugBank-approved

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80792-1-O Colon 26 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 9000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80792 Z80792 Colon 26 (Colon Adenocarcinoma Cells) 9000 0.27 Functional ≤ 10μM

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