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SML0748

Carbetocin acetate

≥95% (HPLC)

Synonym(s):

N-(4-Mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-glycinamidecyclic (1-5)-thioether acetate

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About This Item

Empirical Formula (Hill Notation):
C45H69N11O12S · xC2H4O2
CAS Number:
37025-55-1
Molecular Weight:
988.16 (free base basis)
UNSPSC Code:
51111800
NACRES:
NA.77
Assay:
≥95% (HPLC)
Form:
powder
Storage condition:
desiccated
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Quality Segment

assay

≥95% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

storage temp.

−20°C

SMILES string

S1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1)Cc3ccc(cc3)OC)[C@H](CC)C)CCC(=O)N)CC(=O)N)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N

InChI

1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1

InChI key

NSTRIRCPWQHTIA-DTRKZRJBSA-N

Biochem/physiol Actions

Carbetocin is a potent agonist of the oxytocin receptor, with improved in vivo stability over oxytocin.
Carbetocin is a potent agonist of the oxytocin receptor.

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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