UCSF

ZINC53226529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 23 No

CAS Number: 3485-14-1

Other Names:

(1-Aminocyclohexyl)penicillin

(1-aminocyclohexyl)penicillin; (2S,5R,6R)-6-{[(1-aminocyclohexyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(1-aminocyclohexanecarboxamido)penicillanic acid; 6-(1-aminocyclohexylcarboxamido)penicillanic acid

(1-Aminocyclohexyl)penicillin; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-aminocyclohexyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(1-aminocyclohexanecarboxam

(2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-6-{[(1-aminocyclohexyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

cillin

3485-14-1

3485-14-1; 6-(((1-aminocyclohexyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; nsc88789

3485-14-1; ACPC; Ciclacillin (JP16/INN); Cyclacillin (USAN); Cyclapen-W (TN); D01334; Vastcillin (TN)

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-aminocyclohexyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(1-aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(1-aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo- (8CI)

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(1-aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1-aminocyclohexyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2.alpha.,5.alpha.,6.beta.)]-

6-(1-Aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

6-(1-Aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

6-(1-Aminocyclohexanecarboxamido)penicillanic acid

6-(1-Aminocyclohexylcarboxamido)penicillanic acid

6beta-(1-aminocyclohexanecarboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid

AB00514059

AC 98

AC-PC

AC1L2D99

Aminocyclohexyl penicillin

Aminocyclohexylpenicillin

Aminocyclohexylpenicillin;Ciclacilina [INN-Spanish];Ciclacillin;Ciclacilline [INN-French];Ciclacillinum [INN-Latin];Ciclacillum

Bastcillin

Bastcillin; Calthor; Citosarin; Cyclapen; Cyclapen-W; Syngacillin; Ultracillin; Vastcillin; Vipicil; Wyvital

BPBio1_001385

BRD-K89046952-001-03-4

BRN 0938663

BSPBio_001260

C-12104

C12766

Calthor

CAS-3485-14-1

CHEBI:31444

CHEMBL1200356

Ciclacilina

Ciclacilina [INN-Spanish]

ciclacilina; ciclacillin; ciclacilline; ciclacillinum

Ciclacillin

Ciclacillin (BAN

Ciclacillin (JP15/INN)

Ciclacilline

Ciclacilline [INN-French]

Ciclacillinum

Ciclacillinum [INN-Latin]

Ciclacillum

CID19003

Citosarin

Cyclacillin (FDA

Cyclacillin (USAN)

Cyclacillin [USAN]

Cyclapen

Cyclapen-W

Cyclapen-W (TN)

D01334

DAP001159

DB01000

EINECS 222-470-8

HMS1571O22

INN

JAN)

JAN); Cyclacillin (FDA

LS-55797

MFCD00864980

NCGC00016629-01

NCGC00179238-01

NCI60_041965

Noblicil

NSC 88789

NSC88789

Orfilina

Peamezin

Penicillin, (aminocyclohexyl)-

Prestwick0_001120

Prestwick1_001120

Prestwick2_001120

Prestwick3_001120

SPBio_003120

Syngacillin

Ultracillin

UNII-72ZJ154X86

USAN

USAN); Ciclacillin (BAN

USP

USP)

Vastcillin

Vastcillin (TN)

Vipicil

WLN: T45 ANV ESTJ F1 F1 GVQ CMV- AL6TJ AZ

WY 4508

WY-4508

WY4508

Wyvital

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

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.90e+00 g/l DrugBank-approved

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.