UCSF

ZINC03830445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 34 No

Popular Name: SCE-963 SCE-963

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61622-34-2 , 66309-69-1 , [66309-69-1]

Other Names:

(6R,7R)-7-(2-(2-Amino-4-thiazolyl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid dihydrochloride; (6R-trans)-7-(2-(2-Aminothiazol-4-yl)acetamido)-3-(((1-(2-(dimethylamin

(6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CEFOTIAM

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

61622-34-2

61622-34-2; Aspil (TN); CTM; Cefotiam (INN); D07648

66309-69-1; CTM; Cefotiam hydrochloride (JP16/USP); Ceradon (TN); D01819; Pansporin (TN)

67356-92-7

7(R)-(2-(2-amino-4-thiazolyl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid dihydrochloride; cefotiam hydrochloride

70896-40-1

7b-[2-(aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1h-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylic acid

7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid

AB00514684

Abbott-48999

ABBOTT-48999; CGP-14221/E; SCE-963

AC1L2AFI

AC1Q6LOO

Aspil

Aspil (TN)

BPBio1_000379

BRD-K02275692-003-03-4

BSPBio_000343

C18H23N9O4S3

cef-

Cefotiam

Cefotiam (BAN

Cefotiam (hydrochloride)

Cefotiam (INN)

cefotiam dihydrochloride

Cefotiam Hydrochloride

Cefotiam Hydrochloride, Antibiotic for Culture Media Use Only

Cefotiam [INN:BAN]

cefotiam; cefotiamum

Cefotiamum

Cefotiamum [INN-Latin]

Cefotiamum [INN-Latin];CTM

Ceradolan

Ceradon

CGP 14221E

CGP-14221-E

CGP-14221/E

CHEBI:355510

CHEMBL1296

CID43708

CTM

D07648

DAP001177

DB00229

Haloapor

Halospor

INN); Cefotiam HCl (FDA

INN); Cefotiam Hexetil HCl (JAN); Cefotiam HCl (FDA

INN); Cefotiam Hydrochloride (FDA

JAN

LS-149969

NCGC00179594-01

Pansporin

Prestwick0_000482

Prestwick1_000482

Prestwick2_000482

Prestwick3_000482

SPBio_002264

UNII-91W6Z2N718

USAN

USAN); Cefotiam Hexetil HCl (JAN)

USP

USP)

USP); Cefotiam Hexetil Hydrochloride (JAN)

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) -0.68 -4.61 -78.82 4 13 0 176 525.642 10 ↓
Lo Low (pH 4.5-6) -0.68 -4.49 -95.96 5 13 1 177 526.65 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.29e+00 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0004925A1; EP0009609A2; EP0025495A1; EP0027258A1; EP0034347A2; EP0050965A1; EP0053815A1; EP0053816A1; EP0056992A1; EP0059478A1; EP0083039A1; EP0092948A1; EP0092948A2; EP0093376A2; EP0093376B2; EP0095764A2; EP0114787A2; EP0114787B1; EP0128027A2; EP012802 IBM Patent Data

Activity (Go SEA)

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