UCSF

ZINC13298712

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 16 No

Popular Name: Thiopental sodium Thiopental sodium

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CAS Numbers: 71-73-8 , 71-73-8, 76-75-5 [thiopen , 71-73-8, 76-75-5 [thiopental] , 76-75-5

Other Names:

()Thiopental solution

(+-)-Thiopental

(+/-)-THIOPENTAL

(+/-)Thiopental solution

2-Thio-5-ethyl-5-sec-pentylbarbituric acid

4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-

4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt; 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt, (+-)-; 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid monosodium; Barbituric

4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-

4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (9CI)

5-24-09-00172 (Beilstein Handbook Reference)

5-ethyl-2-mercapto-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione

5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione

5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid

5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

59709-53-4

71-73-8; D00714; Pentothal (TN); Thiopental sodium (JP16/USP/INN)

76-75-5

76-75-5; C07521; Thiopental

AC-16029

AC1MHDBY

AC1Q2UJN

Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-

Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium salt, S(-)-; LS-24399; S(-)-5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt; S(-)-Thiopental sodium

BRD-A72603112-236-02-4

BRN 0209361

BSPBio_003301

C07521

C11H18N2O2S

CHEBI:102166

CHEBI:9560

CHEMBL441

CID3000715

DAP000661

DB00599

DivK1c_000993

EINECS 200-984-3

Farmotal

FDA)

I14-14129

IDI1_000993

INN

Intraval

JAN

KBio1_000993

KBio2_002272

KBio2_004840

KBio2_007408

KBio3_002803

KBioGR_001010

KBioSS_002273

LS-24395

MFCD00072013

NCGC00159524-01

Nesdonal

NINDS_000993

Penthiobarbital

Penthiobarbital;Pentothal;Pentothiobarbital;Thiomebumal;Thionembutal;Thiopentobarbital;Thiopentobarbitone;Thiopentobarbituric acid;Thiopentone;Tiopentale [Italian]

Pentothal

Pentothal; Thiopental sodium; monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate; penthiobarbital sodium; sodium (+-)-5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate; sodium 5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate; sodium pentothal; sodium pentothiobarb

Pentothiobarbital

pentothiobarbital(1-); thiopentobarbitone(1-); thiopentone(1-)

SPBio_002215

Spectrum2_001998

Spectrum3_001781

Spectrum4_000575

Spectrum5_001692

Spectrum_001786

T1019_SIGMA

T1022_FLUKA

T1022_SIGMA

Thiomebumal

Thionembutal

Thiopental

Thiopental (BAN); Thiopental Sodium (FDA

Thiopental (BAN); Thiopental Sodium (INN

thiopental sodique; thiopental sodium; thiopentalum natricum; tiopental sodico

Thiopental Sodium

Thiopental [BAN]

thiopental(1-)

Thiopentobarbital

Thiopentobarbitone

Thiopentobarbituric acid

Thiopentone

Thiothal

Tiopentale

Tiopentale [Italian]

Trapanal

UNII-JI8Z5M7NA3

USP

USP)

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) 2.44 2.07 -33.17 1 4 -1 65 241.336 4 ↓
Mid Mid (pH 6-8) 2.44 1.96 -33.88 1 4 -1 65 241.336 4 ↓
Mid Mid (pH 6-8) 2.58 3.89 -5.66 2 4 0 58 242.344 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.98e-02 g/l DrugBank-approved
Therapy anesthetic SMDC MicroSource

Activity (Go SEA)

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