Cyclosporin A

CAT: 0063-40007313-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-40007313-1gSize:1 g

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CAS Number

59865-13-3

Molecular Formula

C62H111N11O12

Molecular Weight

1202.61

Formulation

C62H111N11O12

Chemical Information

Cyclosporin A

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

CAS Number	59865-13-3
PubChem CID	5284373
IUPAC Name	(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
Molecular Formula	C62H111N11O12
Molecular Weight	1202.6
XLogP	7.5
Topological Polar Surface Area	279
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Heavy Atom Count	85
Formal Charge	0
Complexity	2330

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

InChI

InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1

InChIKey

PMATZTZNYRCHOR-CGLBZJNRSA-N

Chemical Structure

2D Structure

CAS: 59865-13-3

CID: 5284373

Formula: C62H111N11O12

MW: 1202.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1202.6
XLogP3	7.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Exact Mass	1201.84136802
Monoisotopic Mass	1201.84136802
Topological Polar Surface Area	279 Å²
Heavy Atom Count	85
Formal Charge	0
Complexity	2330
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
PT_40345-01	Cyclosporin-A (Cyclosporin A)
OPPA01320-1G	Cyclosporin A - Cyclosporin-A Protein
B1922-S	Cyclosporin A
7-04922	Cyclosporin-A

Cyclosporin A

Chemical Information

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