Molecules/Cyclosporin A

Cyclosporin A

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C62H111N11O121202.60 g/molCID 5284373

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Molecular Identity

Cyclosporin A

PubChem CID: 5284373

Ciclosporin (Cyclosporin A; Cyclosporine) can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

2D Structure

Properties

C₆₂H₁₁₁N₁₁O₁₂

Molecular Formula

1202.60

Molecular Weight

g/mol

1201.8414

Exact Mass

7.5

XLogP

Above Lipinski threshold

279

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2330

Complexity

SMILES

Canonical SMILES

SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Isomeric SMILES

SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Synonyms(20)

cyclosporin ACiclosporincyclosporine59865-13-3SandimmuneNeoralSandimmunCyclosporine ACiclosporineNeoplantaEquoralGengrafCiclosporinaCiclosporinumSang-35

Data from PubChem (NCBI)

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Molecular Structure

Cyclosporin A

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Source: PubChem

Drug Network

Trials and conditions connected to Cyclosporin A

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