Product Code

TRC-D988915

Product Format

Neat

Molecular Formula

C62 H110 N14 O12

Molecular Weight

1243.62

Product Categories

Drug derivatives & metabolites, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Deshydroxy Azide Cyclosporin

Molecular Formula

C62 H110 N14 O12

Molecular Weight

1243.62

Accurate Mass

1242.8428

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\CN=[N+]=[N-])N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

InChI

InChI=1S/C62H110N14O12/c1-24-43-58(84)70(17)33-48(77)71(18)44(29-34(2)3)55(81)68-49(38(10)11)61(87)72(19)45(30-35(4)5)54(80)65-41(15)53(79)66-42(16)57(83)73(20)46(31-36(6)7)59(85)74(21)47(32-37(8)9)60(86)75(22)50(39(12)13)62(88)76(23)51(56(82)67-43)52(78)40(14)27-25-26-28-64-69-63/h25-26,34-47,49-52,78H,24,27-33H2,1-23H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/b26-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50?,51+,52-/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Deshydroxy Azide Cyclosporin

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